Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces (1056 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
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Paper type: Journal Article,
Impact factor: 2.605, 5-year impact factor: 2.474
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-71749100900&partnerID=40&md5=72188d1c53955b41ede2b0499594cd41
Keywords: β-Sheet Stability, Amyloid, Molecular Dynamics, Neurodegenerative Diseases, Yeast Prion, Amyloid Fibers, Aromatic Residues, Aromatic Side Chains, Crystal Packings, High Resolution, Hydrophobic Residues, In-Line, Intersheet Interaction, Molecular Dynamics Simulations, Peptide Models, Similar Numbers, Structural Motifs, Theoretical Investigations, Time-Scales, Amines, Aromatic Compounds, Glycoproteins, Hydrophobicity, Simulators, Crystal Structure, Polypeptide, Amyloid Protein, Peptide Derivative, Article, Beta Sheet, Controlled Study, Interface Pressure, Molecular Interaction, Molecular Stability, Protein Motif, Protein Stability, Protein Structure, Structure Analysis, Protein Assembly, Amino Acid Sequence, Computer Simulation, Crystallography, X-Ray, Databases, Kinetics, Protein Conformation, Protein Folding, Secondary, Tertiary, Thermodynamics,
Affiliations:
*** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, I-80134 Napoli, Italy
Dipartimento Delle Scienze Biologiche, Università degli Studi di Napoli Federico II, via Mezzocannone 16, I-80134 Napoli, Italy
Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, United Kingdom
References:
Not available.
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 2.605, 5-year impact factor: 2.474
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-71749100900&partnerID=40&md5=72188d1c53955b41ede2b0499594cd41
Keywords: β-Sheet Stability, Amyloid, Molecular Dynamics, Neurodegenerative Diseases, Yeast Prion, Amyloid Fibers, Aromatic Residues, Aromatic Side Chains, Crystal Packings, High Resolution, Hydrophobic Residues, In-Line, Intersheet Interaction, Molecular Dynamics Simulations, Peptide Models, Similar Numbers, Structural Motifs, Theoretical Investigations, Time-Scales, Amines, Aromatic Compounds, Glycoproteins, Hydrophobicity, Simulators, Crystal Structure, Polypeptide, Amyloid Protein, Peptide Derivative, Article, Beta Sheet, Controlled Study, Interface Pressure, Molecular Interaction, Molecular Stability, Protein Motif, Protein Stability, Protein Structure, Structure Analysis, Protein Assembly, Amino Acid Sequence, Computer Simulation, Crystallography, X-Ray, Databases, Kinetics, Protein Conformation, Protein Folding, Secondary, Tertiary, Thermodynamics,
Affiliations:
*** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini, CNR, via Mezzocannone 16, I-80134 Napoli, Italy
Dipartimento Delle Scienze Biologiche, Università degli Studi di Napoli Federico II, via Mezzocannone 16, I-80134 Napoli, Italy
Department of Chemistry, University of Cambridge, Lensfield Road, CB2 1EW, Cambridge, United Kingdom
References:
Not available.
Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces
Recent seminal investigations have suggested that the basic structural motif Of amyloid fibers may be constituted by a tight association of two facing beta-sheets (steric zipper). Although this model has been derived front crystal structures of small peptide models, several theoretical investigations, essentially focused on steric zipper interface containing large polar and/or aromatic side chains, have confirmed the stability of this motif in a crystal-free context. To analyze the general validity of these findings, we carried out molecular dynamics (MD) simulations on aggregates stabilized by steric zipper interfaces made also of small or hydrophobic residues. In particular, we here characterized assemblies formed by the peptides SSTSAA and VQIVYK, whose structures have been recently solved at high resolution. In contrast to previous results obtained for polar/aromatic aggregates of the same size and with similar interface area, steric zipper assemblies composed of a pair of 10-stranded P-sheets show high fluctuations and significant distortions in the simulation timescales (40-60 ns). Taking into account the crystal packing, the effect of the addition of an extra sheet to the assemblies was also evaluated. The AID results indicate that this addition does not provide extra-stabilization to the pair of sheet models. Although present data do not preclude the possibility that the steric zipper association identified in the crystal structure is the basic motif of SSTSAA and VQIVYK fibers, our findings highlight the importance of the nature of residues directly involved in the motif Indeed, polar and aromatic residues that may form intrasheet and intersheet interactions likely provide a strong contribution to the steric zipper motif stability. Along this line, assemblies endowed with hydrophobic residues presumably require larger interfaces. In line with this suggestion, MD analysis of the HET-s(218-289) prion models composed of a similar number of strands shows that the assembly is endowed with a remarkable stability. (c) 2009 Wiley Periodicals, Inc. Biopolymers 91: 1161-1171, 2009.
Recent seminal investigations have suggested that the basic structural motif Of amyloid fibers may be constituted by a tight association of two facing beta-sheets (steric zipper). Although this model has been derived front crystal structures of small peptide models, several theoretical investigations, essentially focused on steric zipper interface containing large polar and/or aromatic side chains, have confirmed the stability of this motif in a crystal-free context. To analyze the general validity of these findings, we carried out molecular dynamics (MD) simulations on aggregates stabilized by steric zipper interfaces made also of small or hydrophobic residues. In particular, we here characterized assemblies formed by the peptides SSTSAA and VQIVYK, whose structures have been recently solved at high resolution. In contrast to previous results obtained for polar/aromatic aggregates of the same size and with similar interface area, steric zipper assemblies composed of a pair of 10-stranded P-sheets show high fluctuations and significant distortions in the simulation timescales (40-60 ns). Taking into account the crystal packing, the effect of the addition of an extra sheet to the assemblies was also evaluated. The AID results indicate that this addition does not provide extra-stabilization to the pair of sheet models. Although present data do not preclude the possibility that the steric zipper association identified in the crystal structure is the basic motif of SSTSAA and VQIVYK fibers, our findings highlight the importance of the nature of residues directly involved in the motif Indeed, polar and aromatic residues that may form intrasheet and intersheet interactions likely provide a strong contribution to the steric zipper motif stability. Along this line, assemblies endowed with hydrophobic residues presumably require larger interfaces. In line with this suggestion, MD analysis of the HET-s(218-289) prion models composed of a similar number of strands shows that the assembly is endowed with a remarkable stability. (c) 2009 Wiley Periodicals, Inc. Biopolymers 91: 1161-1171, 2009.
Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces
Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces
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Magrì A, Tabbì G, Breglia R, De Gioia L, Fantucci P, Bruschi M, Bonomo RP, La Mendola D
* Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: an experimental and theoretical investigation (1289 views) (PDF 210 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2017 Jul 04; 46(26): 8524-8538.
Impact Factor: 4.099
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Mercurio FA, Costantini S, Di Natale C, Pirone L, Guariniello S, Scognamiglio PL, Marasco D, Pedone EM, Leone M
* Structural investigation of a C-terminal EphA2 receptor mutant: Does mutation affect the structure and interaction properties of the Sam domain? (775 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639linking), 2017 Jun 06; 1865(9): 1095-1104.
Impact Factor: 4.28
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Ruggiero A, Squeglia F, Romano M, Vitagliano L, De Simone A, Berisio R
* Structure and dynamics of the multi-domain resuscitation promoting factor RpfB from Mycobacterium tuberculosis (597 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2017 May; 35(6): 1322-1330.
Impact Factor: 3.107
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Leiria Campo V, Riul TB, Oliveira Bortot L, Martins-teixeira MB, Fiori Marchiori M, Iaccarino E, Ruvo M, Dias-baruffi M, Carvalho I
* A Synthetic MUC1 Glycopeptide Bearing betaGalNAc-Thr as a Tn Antigen Isomer Induces the Production of Antibodies against Tumor Cells (1746 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2017 Mar 16; 18(6): 527-538.
Impact Factor: 2.774
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Gargiulo S, Coda AR, Panico M, Gramanzini M, Moresco RM, Chalon S, Pappata S
* Molecular imaging of neuroinflammation in preclinical rodent models using positron emission tomography (588 views)
Q J Nucl Med Mol Im (ISSN: 1824-4785, 1824-4478, 1827-1936), 2017 Mar; 61(1): 60-75.
Impact Factor: 2.368
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Barone D, Balasco N, Autiero I, Vitagliano L
* The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics (115 views)
J Biomol Struct Dyn (ISSN: 0739-1102linking), 2017 Mar; 35 (4 ): 805-816.
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Paladino A, Civera M, Belvisi L, Colombo G
High Affinity vs. Native Fibronectin in the Modulation of αvβ3 Integrin Conformational Dynamics: Insights from Computational Analyses and Implications for Molecular Design (269 views)
Plos Comput Biol (ISSN: 1553-734xlinking), 2017 Jan 23; 13 (1 ): e1005334-N/D.
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Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
* Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs (600 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(11): 2619-2627.
Impact Factor: 5.16
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Monti S, Cocozza S, Borrelli P, Straub S, Ladd ME, Salvatore M, Tedeschi E, Palma G
* MAVEN: An Algorithm for Multi-Parametric Automated Segmentation of Brain Veins from Gradient Echo Acquisitions (574 views) (PDF 227 views)
Ieee T Med Imaging (ISSN: 0278-0062), 2017; 36(5): 1054-1065.
Impact Factor: 6.131
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Di Matteo A, Franceschini M, Paiardini A, Grottesi A, Chiarella S, Rocchio S, Di Natale C, Marasco D, Vitagliano L, Travaglini-allocatelli C, Federici L
* Structural investigation of Nucleophosmin interaction with the tumor suppressor Fbw7γ (509 views)
Oncogenesis (ISSN: 2157-9024), 2017; 6(9): N/D-N/D.
Impact Factor: 4.722
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Barone D, Balasco N, Autiero I, Vitagliano L
* The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics (445 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Dec; N/D: 1-12.
Impact Factor: 3.123
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Diaferia C, Sibillano T, Balasco N, Giannini C, Roviello V, Vitagliano L, Morelli G, Accardo A
* Hierarchical Analysis of Self-Assembled PEGylated Hexaphenylalanine Photoluminescent Nanostructures (554 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Nov 7; 22(46): 16586-16597.
Impact Factor: 5.317
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Barone D, Balasco N, Vitagliano L
* KCTD5 is endowed with large, functionally relevant, interdomain motions (462 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Aug; 34(8): 1725-1735.
Impact Factor: 3.123
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Smaldone G, Vigorita M, Ruggiero A, Balasco N, Dattelbaum JD, D'Auria S, Del Vecchio P, Graziano G, Vitagliano L
* Proline 235 plays a key role in the regulation of the oligomeric states of Thermotoga maritima Arginine Binding Protein (814 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2016 Jul; 1864(7): 814-824.
Impact Factor: 4.932
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Varrone A, Pappata S, Quarantelli M
* Movement disorders: Focus on Parkinson’s disease and related disorders (701 views)
Pet Ct And Pet Mri In Neurology (ISSN: 9783-3193161479783319316123), 2016; N/D: 103-125.
Impact Factor: 0
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Oliveri V, Bellia F, Grasso GI, Pietropaolo A, Vecchio G
* Trehalose-8-hydroxyquinoline conjugates as antioxidant modulators of Aβ aggregation (1042 views)
Rsc Adv (ISSN: 2046-2069, 2046-2069electronic), 2016; 6(53): 47229-47236.
Impact Factor: 3.108
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Diana D, De Rosa L, Palmieri M, Russomanno A, Russo L, La Rosa C, Milardi D, Colombo G, D'Andrea LD, Fattorusso R
* Long range Trp-Trp interaction initiates the folding pathway of a pro-angiogenic beta-hairpin peptide (1200 views)
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2015 Nov 25; 5: 16651-16651.
Impact Factor: 5.228
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Karlsson J, Morgillo CM, Deplano A, Smaldone G, Pedone E, Luque FJ, Svensson M, Novellino E, Congiu C, Onnis V, Catalanotti B, Fowler CJ
* Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding Mode (259 views)
Plosone (ISSN: 1932-6203linking, 1932-6203electronic), 2015 Nov 13; 10 (11 ): e0142711-N/D.
Impact Factor: 4.351
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Paladino A, Morra G, Colombo G
Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase (264 views)
J Chem Inf Model (ISSN: 1549-9596linking), 2015 Jul 27; 55 (7 ): 1377-1387.
Impact Factor:
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Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (957 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
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Smaldone G, Pirone L, Balasco N, Di Gaetano S, Pedone E, Vitagliano L
* Cullin 3 recognition is not a universal property among KCTD proteins (1246 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 May 14; 10(5): e0126808-e0126808.
Impact Factor: 3.057
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De Paola I, Pirone L, Palmieri M, Balasco N, Esposito L, Russo L, Mazza D, Di Marcotullio L, Di Gaetano S, Malgieri G, Vitagliano L, Pedone E, Zaccaro L
* Cullin3 - BTB interface: A novel target for stapled peptides (880 views) (PDF 90 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 Apr 7; 10(4): e0121149-e0121149.
Impact Factor: 3.057
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Nikitushkin VD, Demina GR, Shleeva MO, Guryanova SV, Ruggiero A, Berisio R, Kaprelyants AS
* A product of RpfB and RipA joint enzymatic action promotes the resuscitation of dormant mycobacteria (727 views)
Febs J (ISSN: 1742-464x), 2015 Apr 3; 282(13): 2500-2511.
Impact Factor: 4.237
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Di Natale G, Turi I, Pappalardo G, Sóvágó I, Rizzarelli E
* Cross-Talk Between the Octarepeat Domain and the Fifth Binding Site of Prion Protein Driven by the Interaction of Copper(II) with the N-terminus (634 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015 Mar 2; 21(10): 4071-4084.
Impact Factor: 5.771
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Calvanese L, Falcigno L, D'Auria G
* Essential Dynamics Analysis Captures the Concerted Motion of the Integrin-Binding Site in Jerdostatin, an RTS Disintegrin (654 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2015 Mar; 103(3): 158-166.
Impact Factor: 2.248
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Autiero I, Saviano M, Langella E
* Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach (766 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015 Feb 16; 91: 109-117.
Impact Factor: 3.902
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Balasco N, Barone D, Vitagliano L
* Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations (674 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2015 Jan 12; 33(10): 2173-2179.
Impact Factor: 2.3
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Antonini D, Sirico A, Aberdam E, Ambrosio R, Campanile C, Fagoonee S, Altruda F, Aberdam D, Brissette JL, Missero C
* A composite enhancer regulates p63 gene expression in epidermal morphogenesis and in keratinocyte differentiation by multiple mechanisms (1152 views)
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962), 2015 Jan; 43(2): 862-874.
Impact Factor: 9.202
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Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
* Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches (734 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2015; 119(21): 5426-5438.
Impact Factor: 2.883
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Calce E, Vitale RM, Scaloni A, Amodeo P, De Luca S
* Air oxidation method employed for the disulfide bond formation of natural and synthetic peptides (802 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015; 47(8): 1507-1515.
Impact Factor: 3.196
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Vincenzi M, Costantini S, Scala S, Tesauro D, Accardo A, Leone M, Colonna G, Guillon J, Portella L, Trotta AM, Ronga L, Rossi F
* Conformational ensembles explored dynamically from disordered peptides targeting chemokine receptor CXCR4 (843 views)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(6): 12159-12173.
Impact Factor: 3.257
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Yousif AM, Minopoli M, Bifulco K, Ingangi V, Di Carluccio G, Merlino F, Motti ML, Grieco P, Carriero MV
* Cyclization of the urokinase receptor-derived Ser-Arg-Ser-Arg-Tyr peptide generates a potent inhibitor of trans-endothelial migration of monocytes (720 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015; 10(5): N/D-N/D.
Impact Factor: 3.057
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Vitiello G, Falanga A, Petruk AA, Merlino A, Fragneto G, Paduano L, Galdiero S, D'Errico G
* Fusion of raft-like lipid bilayers operated by a membranotropic domain of the HSV-type I glycoprotein gH occurs through a cholesterol-dependent mechanism (680 views)
Soft Matter (ISSN: 1744-683x), 2015; 11(15): 3003-3016.
Impact Factor: 3.798
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Carbonniere P, Pouchan C, Improta R
* Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: An ab initio molecular dynamics study (539 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2015; 17(17): 11615-11626.
Impact Factor: 4.449
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Milardi D, Pappalardo M
* Molecular dynamics: New advances in drug discovery (612 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.
Impact Factor: 3.902
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Lolicato F, Raudino A, Milardi D, La Rosa C
* Resveratrol interferes with the aggregation of membrane-bound human-IAPP: A molecular dynamics study (1404 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 92: 876-881.
Impact Factor: 3.902
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Russo L, Palmieri M, Caso JV, Abrosca GD, Diana D, Malgieri G, Baglivo I, Isernia C, Pedone PV, Fattorusso R
* Towards understanding the molecular recognition process in prokaryotic zinc-finger domain (1058 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 100-108.
Impact Factor: 3.902
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Oliveri V, Bellia F, Pietropaolo A, Vecchio G
* Unusual Cyclodextrin Derivatives as a New Avenue to Modulate Self- and Metal-Induced Aβ Aggregation (1020 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015; 21(40): 14047-14059.
Impact Factor: 5.771
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Benetti F, Biarnés X, Attanasio F, Giachin G, Rizzarelli E, Legname G
* Structural determinants in prion protein folding and stability (1371 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 0022-2836linking), 2014 Nov 11; 426(22): 3796-3810.
Impact Factor: 4.333
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Correale S, de Paola I, Morgillo CM, Federico A, Zaccaro L, Pallante P, Galeone A, Fusco A, Pedone E, Luque FJ, Catalanotti B
* Structural Model of the hUbA1-UbcH10 Quaternary Complex: In Silico and Experimental Analysis of the Protein-Protein Interactions between E1, E2 and Ubiquitin (775 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Nov 6; 9(11): e112082-e112082.
Impact Factor: 3.234
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Mercurio FA, Scognamiglio PL, Di Natale C, Marasco D, Pellecchia M, Leone M
* Cd And Nmr Conformational Studies Of A Peptide Encompassing The Mid Loop Interface Of Ship2-Sam (517 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014 Nov; 101(11): 1088-1098.
Impact Factor: 2.385
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Perani D, Della Rosa PA, Cerami C, Gallivanone F, Fallanca F, Vanoli EG, Panzacchi A, Nobili F, Pappata S, Marcone A, Garibotto V, Castiglioni I, Magnani G, Cappa SF, Gianolli L; EADC-PET Consortium
* Validation of an optimized SPM procedure for FDG-PET in dementia diagnosis in a clinical setting (816 views)
Neuroimage Clin (ISSN: 2213-1582, 2213-1582electronic, 2213-1582linking), 2014 Oct 24; 6: 445-454.
Impact Factor: 2.526
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Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A
* Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH(4)R Antagonism (554 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 16; 9(10): e109340-e109340.
Impact Factor: 3.234
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Vitale RM, Zaccaro L, Di Blasio B, Fattorusso R, Isernia C, Amodeo P, Pedone C, Saviano M
* Conformational features of human melanin-concentrating hormone: an NMR and computational analysis (687 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2014 Sep 17; 4(1): 73-81.
Impact Factor: 3.088
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Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
* Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (638 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
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Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (693 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
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Tomasello MF, Sinopoli A, Attanasio F, Giuffrida ML, Campagna T, Milardi D, Pappalardo G
* Molecular and cytotoxic properties of hIAPP17-29 and rIAPP17-29 fragments: A comparative study with the respective full-length parent polypeptides (1574 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2014 Jun 23; 81: 442-455.
Impact Factor: 3.447
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Ruggiero A, Dattelbaum JD, Staiano M, Berisio R, D'Auria S, Vitagliano L
* A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima (924 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 May 15; 9(5): e96560-e96560.
Impact Factor: 3.234
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Basile L, Pappalardo M, Guccione S, Milardi D, Ramsay RR
* Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases (661 views)
J Chem Inf Model (ISSN: 1549-9596), 2014 Apr 28; 54(4): 1200-1207.
Impact Factor: 3.738
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Tedeschi E, Lanzillo R, Mancini M, Russo C, Cianflone A, Liuzzi R, Cocozza S, Postiglione E, Palma G, Caprio MG, Incoronato MR, Criscuolo C, Brescia Morra V, Salvatore M
* Imaging Of Brain Perfusion In Multiple Sclerosis And Neurodegenerative Diseases: Association With Endothelial Factors. An Interim Analysis (481 views) (PDF 249 views)
2014 Joint Actrims-Ectrims Meeting, 2014 Apr 28; N/D: N/D-N/D.
Impact Factor: 0
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Squeglia F, Bachert B, De Simone A, Lukomski S, Berisio R
* The crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group a streptococcus shows significant similarity to immunomodulatory HIV protein gp41 (877 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2014 Feb 21; 289(8): 5122-5133.
Impact Factor: 4.573
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Autiero I, Saviano M, Langella E
* Molecular Dynamics Simulations Of Pna-Pna And Pna-Dna Duplexes By The Use Of New Parameters Implemented In The Gromacs Package: A Conformational And Dynamics Study (1357 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014 Feb 7; 16(5): 1868-1874.
Impact Factor: 4.493
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Hayafune M, Berisio R, Marchetti R, Silipo A, Kayama M, Desaki Y, Arima S, Squeglia F, Ruggiero A, Tokuyasu K, Molinaro A, Kaku H, Shibuya N
* Chitin-induced activation of immune signaling by the rice receptor CEBiP relies on a unique sandwich-type dimerization (1890 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Jan 21; 111(3): E404-E404.
Impact Factor: 9.674
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Forte G, Travaglia A, Magrì A, Satriano C, La Mendola D
* Adsorption of NGF and BDNF derived peptides on gold surfaces (695 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(4): 1536-1544.
Impact Factor: 4.493
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Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A, Morelli G, Berisio R, Galdiero M, Galdiero S
* Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides (953 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8366-8376.
Impact Factor: 5.48
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Autiero I, Langella E, Saviano M
* Insights Into The Mechanism Of Interaction Between Trehalose-Conjugated Beta-Sheet Breaker Peptides And Aβ(1-42) Fibrils By Molecular Dynamics Simulations (1093 views)
Mol Biosyst (ISSN: 1742-206x, 1742-2206, 1742-2051linking), 2013 Nov; 9(11): 2835-2841.
Impact Factor: 3.18
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Petruk AA, Varriale S, Coscia MR, Mazzarella L, Merlino A, Oreste U
* The Structure Of The Cd3 Zeta Zeta Transmembrane Dimer In Popc And Raft-Like Lipid Bilayer: A Molecular Dynamics Study (673 views)
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002e, 0005-2736print), 2013 Nov; 1828(11): 2637-2645.
Impact Factor: 3.498
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Paladino A, Zangi R
Propensities for loop structures of RNA & DNA backbones (379 views)
Biophys Chem (ISSN: 0301-4622linking), 2013 Oct; 180-181: 110-118.
Impact Factor:
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Arena G, Bellia F, Frasca G, Grasso G, Lanza V, Rizzarelli E, Tabbì G, Zito V, Milardi D
* Inorganic stressors of ubiquitin (557 views) (PDF 236 views)
Inorg Chem (ISSN: 1520-510x, 1520-510xelectronic, 0020-1669linking), 2013 Sep 19; 52(16): 9567-9573.
Impact Factor: 4.794
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Alcides Petruk A, Vergara A, Estrin D, Merlino A
* Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study (631 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2013 Sep 2; 587(15): 2393-2398.
Impact Factor: 3.341
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Russo L, Raiola L, Campitiello MA, Magrì A, Fattorusso R, Malgieri G, Pappalardo G, La Mendola D, Isernia C
* Probing the residual structure in avian prion hexarepeats by CD, NMR and MD techniques (683 views)
Molecules (ISSN: 1420-3049, 1420-3049electronic, 1420-3049linking), 2013 Sep; 18(9): 11467-11484.
Impact Factor: 2.095
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Autiero I, Saviano M, Langella E
* In silico investigation and targeting of amyloid beta oligomers of different size (671 views)
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic, 1742-2051linking), 2013 Aug; 9(8): 2118-2124.
Impact Factor: 3.18
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Squeglia F, Romano M, Ruggiero A, Vitagliano L, De Simone A, Berisio R
* Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses (793 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2013 Jun 4; 104(11): 2530-2539.
Impact Factor: 3.832
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De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
* The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics (952 views)
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.
Impact Factor: 2.983
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Attanasio F, Convertino M, Magno A, Caflisch A, Corazza A, Haridas H, Esposito G, Cataldo S, Pignataro B, Milardi D, Rizzarelli E
* Carnosine Inhibits Abeta(42) Aggregation By Perturbing The H-Bond Network In And Around The Central Hydrophobic Cluster (1366 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2013 Mar 18; 14(5): 583-592.
Impact Factor: 3.06
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Ruggiero A, Marchant J, Squeglia F, Makarov V, De Simone A, Berisio R
* Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis (774 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2013 Feb 1; 31(2): 195-205.
Impact Factor: 2.983
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Causa F, Della Moglie R, Iaccino E, Mimmi S, Marasco D, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
* Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces (617 views)
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking), 2013 Jan 1; 389(1): 220-229.
Impact Factor: 1.646
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Pannuzzo M, Milardi D, Raudino A, Karttunen M, La Rosa C
* Analytical model and multiscale simulations of Aβ peptide aggregation in lipid membranes: Towards a unifying description of conformational transitions, oligomerization and membrane damage (952 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2013; 15(23): 8940-8951.
Impact Factor: 4.198
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Vitiello G, Fragneto G, Petruk AA, Falanga A, Galdiero S, D'Ursi A, Merlino A, D'Errico G
* Cholesterol modulates the fusogenic activity of a membranotropic domain of the FIV glycoprotein gp36 (783 views)
Soft Matter (ISSN: 1744-683x), 2013; 9(28): 6442-6456.
Impact Factor: 4.151
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Picconi D, Avila Ferrer FJ, Improta R, Lami A, Santoro F
* Quantum-classical effective-modes dynamics of the ππ * → nπ* decay in 9H-adenine. A quadratic vibronic coupling model (491 views)
Faraday Discuss (ISSN: 1359-6640, 1359-6640print, 1359-6640linking), 2013; 163: 223-242.
Impact Factor: 4.194
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Berisio R, Ciccarelli L, Squeglia F, De Simone A, Vitagliano L
* Structural and Dynamic properties of incomplete immunoglobulin-like fold domains (826 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1045-1053.
Impact Factor: 1.994
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Stanzione F, De Simone A, Esposito L, Vitagliano L
* Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide (666 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Sep; 19(8): 846-851.
Impact Factor: 1.994
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Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
* Interactions of two O-phosphorylresveratrol derivatives with model membranes (563 views)
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986), 2012 May; 521(1-2): 111-116.
Impact Factor: 0
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Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M, Improta R, Pavone M, Rega N
* Effects of molecular dynamics and solvation on the electronic structure of molecular probes (624 views)
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.
Impact Factor: 2.233
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Balsamo A, Sannino F, Merlino A, Parrilli E, Tutino ML, Mazzarella L, Vergara A
* Role of the tertiary and quaternary structure in the formation of bis-histidyl adducts in cold-adapted hemoglobins (647 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Apr; 94(4): 953-960.
Impact Factor: 3.142
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Sandomenico A, Russo A, Palmieri G, Bergamo P, Gogliettino M, Falcigno L, Ruvo M
* Small peptide inhibitors of acetyl-peptide hydrolase having an uncommon mechanism of inhibition and a stable bent conformation (771 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012 Mar 8; 55(5): 2102-2111.
Impact Factor: 5.614
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Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
* Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study (669 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.
Impact Factor: 3.607
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Cirillo G, Colangelo AM, Bianco MR, Cavaliere C, Zaccaro L, Sarmientos P, Alberghina L, Papa M
* BB14, a Nerve Growth Factor (NGF)-like peptide shown to be effective in reducing reactive astrogliosis and restoring synaptic homeostasis in a rat model of peripheral nerve injury (566 views)
Biotechnology Advances (ISSN: 0734-9750), 2012 Jan; 30(1): 223-232.
Impact Factor: 9.599
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Cantisani M, Vitiello M, Falanga A, Finamore E, Galdiero M, Galdiero S
* Peptides complementary to the active loop of porin P2 from Haemophilus influenzae modulate its activity (684 views)
Int J Nanomed (ISSN: 1178-2013, 1176-9114, 1178-2013electronic), 2012; 7: 2361-2371.
Impact Factor: 3.463
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Satriano C, Fragalà ME, Forte G, Santoro AM, La Mendola D, Kasemo B
* Surface adsorption of fibronectin-derived peptide fragments: The influence of electrostatics and hydrophobicity for endothelial cells adhesion (440 views)
Soft Matter (ISSN: 1744-683x), 2012; 8(1): 53-56.
Impact Factor: 3.909
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Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (583 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
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Bellia F, Vecchio G, Cuzzocrea S, Calabrese V, Rizzarelli E
* Neuroprotective features of carnosine in oxidative driven diseases (800 views)
Molecular Aspects Of Medicine (ISSN: 1872-9452, 0098-2997), 2011 Sep; 32(4-6): 258-266.
Impact Factor: 9.97
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Vitagliano L, Berisio R, De Simone A
* Role of hydration in collagen recognition by bacterial adhesins (1196 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2011 May 4; 100(9): 2253-2261.
Impact Factor: 3.653
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Boechi L, Marti MA, Vergara A, Sica F, Mazzarella L, Estrin DA, Merlino A
* Protonation of Histidine 55 Affects the Oxygen Access to Heme in the Alpha Chain of the Hemoglobin from the Antarctic Fish Trematomus bernacchii (472 views)
Iubmb Life (ISSN: 1521-6543, 1521-6551), 2011 Mar; 63(3): 175-182.
Impact Factor: 3.514
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Grasso G, Pietropaolo A, Spoto G, Pappalardo G, Tundo GR, Ciaccio C, Coletta M, Rizzarelli E
* Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease (733 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Feb 25; 17(9): 2752-2762.
Impact Factor: 5.925
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Milardi D, Sciacca MFM, Pappalardo M, Grasso DM, La Rosa C
* The Role Of Aromatic Side-Chains In Amyloid Growth And Membrane Interaction Of The Islet Amyloid Polypeptide Fragment Lanflvh (740 views)
Eur Biophys J, 2011 Jan; 40(1): 1-12.
Impact Factor: 3.832
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Varriale S, Merlino A, Coscia MR, Mazzarella L, Oreste U
* An evolutionary conserved motif is responsible for Immunoglobulin heavy chain packing in the B cell membrane (708 views)
Molecular Phylogenetics And Evolution (ISSN: 1055-7903), 2010 Dec; 57(3): 1238-1244.
Impact Factor: 3.889
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D'Auria G, Esposito C, Falcigno L, Calvanese L, Iaccarino E, Ruggiero A, Pedone C, Pedone E, Berisio R
* Dynamical properties of cold shock protein A from Mycobacterium tuberculosis (624 views)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2010 Nov 26; 402(4): 693-698.
Impact Factor: 2.595
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Stanzione F, Esposito L, Paladino A, Pedone C, Morelli G, Vitagliano L
* Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors (703 views)
Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking), 2010 Oct 6; 99(7): 2273-2278.
Impact Factor: 4.218
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Farina B, Pirone L, Russo L, Viparelli F, Doti N, Pedone C, Pedone E, Fattorusso R
* NMR backbone dynamics studies of human PED/PEA-15 outline protein functional sites (1042 views)
Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic), 2010 Oct; 277(20): 4229-4240.
Impact Factor: 3.129
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Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
* Optical properties of guanine nanowires: Experimental and theoretical study (432 views)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
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Paladino A, Colonna G, Facchiano AM, Costantini S
Functional hypothesis on miraculin' sweetness by a molecular dynamics approach (111 views)
Biochem Biophys Res Commun (ISSN: 0006-291xlinking), 2010 Jun 4; 396 (3 ): 726-730.
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Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (486 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
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Diana D, Ziaco B, Scarabelli G, Pedone C, Colombo G, D'Andrea LD, Fattorusso R
* Structural analysis of a helical peptide unfolding pathway (703 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.
Impact Factor: 5.476
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Sciacca MFM, Pappalardo M, Attanasio F, Milardi D, La Rosa C, Grasso DM
* Are fibril growth and membrane damage linked processes? An experimental and computational study of IAPP(12-18) and IAPP(21-27) peptides (583 views)
New J Chem (ISSN: 1144-0546), 2010; 34(2): 200-207.
Impact Factor: 2.631
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Milardi D, Pappalardo M, Grasso DM, La Rosa C
* Unveiling the unfolding pathway of FALS associated G37R SOD1 mutant: A computational study (565 views)
Mol Biosyst (ISSN: 1742-206x), 2010; 6(6): 1032-1039.
Impact Factor: 3.825
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Pietropaolo A, Muccioli L, Zannoni C, Rizzarelli E
* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (730 views)
Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic), 2009 Jul 13; 10(9-10): 1500-1510.
Impact Factor: 3.453
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Di Fiore A, Fiorentino G, Vitale RM, Ronca R, Amodeo P, Pedone C, Bartolucci S, De Simone G
* Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins (906 views)
J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic), 2009 May 8; 388(3): 559-569.
Impact Factor: 3.871
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Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (1036 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Molecular dynamics studies of the P pilus rod subunit PapA (837 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Impact Factor: 1.807
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Calabrese V, Cornelius C, Mancuso C, Barone E, Calafato S, Bates T, Rizzarelli E, Kostova AT
* Vitagenes, dietary antioxidants and neuroprotection in neurodegenerative diseases (1950 views)
Frontiers In Bioscience (ISSN: 1093-4715, 1093-9946), 2009 Jan 1; 14: 376-397.
Impact Factor: 3.736
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Vitagliano L, Esposito L, Pedone C, De Simone A
* Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association (911 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Dec 26; 377(4): 1036-1041.
Impact Factor: 2.648
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Calabrese V, Cornelius C, Mancuso C, Pennisi G, Calafato S, Bellia F, Bates TE, Giuffrida Stella AM, Schapira T, Dinkova Kostova AT, Rizzarelli E
* Cellular stress response: a novel target for chemoprevention and nutritional neuroprotection in aging, neurodegenerative disorders and longevity (1592 views)
Neurochemical Research (ISSN: 1573-6903, 0364-3190), 2008 Dec; 33(12): 2444-2471.
Impact Factor: 2.26
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La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
* Prion proteins leading to neurodegeneration (566 views)
Current Alzheimer Research (ISSN: 1567-2050), 2008 Dec; 5(6): 579-590.
Impact Factor: 4.132
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Caraci F, Busceti C, Biagioni F, Aronica E, Mastroiacovo F, Cappuccio I, Battaglia G, Bruno V, Caricasole A, Copani A, Nicoletti
* The Wnt antagonist, Dickkopf-1, as a target for the treatment of neurodegenerative disorders (586 views)
Neurochemical Research (ISSN: 0364-3190, 1573-6903), 2008 Dec; 33(12): 2401-2406.
Impact Factor: 2.26
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Milardi D, Pappalardo M, Pannuzzo M, Grasso DM, Rosa CL
* The role of the Cys2-Cys7 disulfide bridge in the early steps of Islet amyloid polypeptide aggregation: A molecular dynamics study (537 views)
Chem Phys Lett (ISSN: 0009-2614), 2008 Oct 1; 463(4-6): 396-399.
Impact Factor: 2.169
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Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (647 views)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
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De Simone A, Esposito L, Pedone C, Vitagliano L
* Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses (1260 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.
Impact Factor: 4.683
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Conformational states and association mechanism of Yersinia pestis Caf1 subunits (614 views)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2008 Sep 8; 372(4): 804-810.
Impact Factor: 2.648
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De Simone A, Vitagliano L, Berisio R
* Role of hydration in collagen triple helix stabilization (744 views)
Biochem Biophys Res Commun (ISSN: 0006-291x), 2008 Jul 18; 372(1): 121-125.
Impact Factor: 2.648
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Varrone A, Sansone V, Pellecchia MT, Amboni M, Salvatore E, De Michele G, Filla A, Barone P, Pappata S, Salvatore M
* Comparison between a dual-head and a brain-dedicated SPECT system in the measurement of the loss of dopamine transporters with [123I]FP-CIT (502 views)
Eur J Nucl Med (ISSN: 1619-7070, 1619-7089, 0340-6997), 2008 Jul; 35(7): 1343-1349.
Impact Factor: 4.532
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D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT
* Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii (1065 views)
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.
Impact Factor: 4.898
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Esposito L, Paladino A, Pedone C, Vitagliano L
* Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations (679 views)
Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking), 2008 May 15; 94(10): 4031-4040.
Impact Factor: 4.683
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De Simone A, Pedone C, Vitagliano L
* Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF (660 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Feb 15; 366(3): 800-806.
Impact Factor: 2.648
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Salvatore E, Varrone A, Criscuolo C, Mancini P, Sansone V, Strisciuglio C, Cicala D, Scarano V, Salvatore M, Pappata S, De Michele G, Filla A
* Nigrostriatal involvement in ataxia with oculomotor apraxia type (486 views)
J Neurol (ISSN: 0340-5354print, 0340-5354linking, 1432-1459electronic), 2008 Jan; 255(1): 45-48.
Impact Factor: 2.536
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Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
* Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3 (601 views)
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.
Impact Factor: 3.139
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Marchelli R, Saviano M, Licandro E, Spoto G, Borgatti M, Gambari R
* PNAs targeting the "RNA world": Micro RNA next? (707 views)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 183-188.
Impact Factor: 0.1
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Barbarulo AM, Pappata S, Puoti G, Prinster A, Grossi D, Cotrufo R, Salvatore M, Trojano L
* Rehabilitation of gesture imitation: a case study with fMRI (608 views)
Neurocase (ISSN: 1465-3656, 1355-4794), 2008; 14(4): 293-306.
Impact Factor: 0.918
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Diana D, Ziaco B, Colombo G, Scarabelli G, Romanelli A, Fedone C, Fattorusso R, D'Andrea LD
* Structural determinants of the unusual helix stability of a de novo engineered vascular endothelial growth factor (VEGF) mimicking peptide (686 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2008; 14(14): 4164-4166.
Impact Factor: 5.454
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Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (1152 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
Impact Factor: 2.823
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Calabrese V, Mancuso C, Calvani M, Rizzarelli E, Butterfield DA, Stella AM
* Nitric oxide in the central nervous system: neuroprotection versus neurotoxicity (1284 views)
Nature Reviews Neuroscience (ISSN: 1471-0048), 2007 Oct; 8(10): 766-775.
Impact Factor: 24.52
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Pietropaolo A, Raiola L, Muccioli L, Tiberio G, Zannoni C, Fattorusso R, Isernia C, La Mendola D, Pappalardo G, Rizzarelli E
* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (423 views)
Chem Phys Lett (ISSN: 0009-2614), 2007 Jul 6; 442(1-3): 110-118.
Impact Factor: 2.207
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Vitale RM, Pedone C, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT, De Simone G
* Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA (465 views)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.
Impact Factor: 2.662
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis (668 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2007 Apr 6; 367(4): 935-941.
Impact Factor: 4.472
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Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (820 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
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Santoro F, Barone V, Improta R
* Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations (1034 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.
Impact Factor: 9.598
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Pappalardo M, Milardi D, Grasso D, La Rosa C
* Steered molecular dynamics studies reveal different unfolding pathways of prions from mammalian and non-mammalian species (518 views)
New J Chem (ISSN: 1144-0546), 2007; 31(6): 901-905.
Impact Factor: 2.651
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Milardi D, Arnesano F, Grasso G, Magrì A, Tabbì G, Scintilla S, Natile G, Rizzarelli E
* Ubiquitin stability and the Lys63-linked polyubiquitination site are compromised on copper binding (542 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2007; 46(42): 7993-7995.
Impact Factor: 10.031
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Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (1298 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
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Di Gaetano S, Guglielmi F, Arciello A, Mangione P, Monti M, Pagnozzi D, Raimondi S, Giorgetti S, Orru S, Canale C, Pucci P, Dobson CM, Bellotti V, Piccoli R
* Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential (529 views)
Biochemical And Biophysical Research Communications (ISSN: 0006-291x, 0006-291xprint), 2006 Dec 8; 351(1): 223-228.
Impact Factor: 2.855
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Esposito L, Pedone C, Vitagliano L
* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (1234 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
Impact Factor: 9.643
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Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (559 views)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
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Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (478 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
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Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V, Improta R
* Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water (469 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jul 6; 110(26): 12843-12847.
Impact Factor: 4.115
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Langella E, Improta R, Crescenzi O, Barone V
* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (903 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
Impact Factor: 3.73
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Merlino A, Esposito L, Vitagliano L
* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (888 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
Impact Factor: 3.73
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Galdiero S, Vitiello M, Amodeo P, D'Isanto M, Cantisani M, Pedone C, Galdiero M
* Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae (779 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Apr 11; 45(14): 4491-4501.
Impact Factor: 3.633
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De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (941 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
Impact Factor: 4.1
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D'Andrea LD, Del Gatto A, Pedone C, Benedetti E
* Peptide-based molecules in angiogenesis (1049 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285, 1747-0277linking), 2006 Feb; 67(2): 115-126.
Impact Factor: 2.507
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Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M
* A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants (572 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.
Impact Factor: 3.73
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Pedone E, Saviano M, Bartolucci S, Rossi M, Ausili A, Scire A, Bertoli E, Tanfani F
* Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study (687 views)
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.
Impact Factor: 6.901
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Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (765 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
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Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (950 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
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La Rosa C, Milardi D, Amato E, Pappalardo M, Grasso D
* Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly (768 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 2005 Mar 1; 435(1): 182-189.
Impact Factor: 3.152
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Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
* Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease (794 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
Impact Factor: 4.507
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Merlino A, Graziano G, Mazzarella L
* Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability (578 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Dec 1; 57(4): 692-701.
Impact Factor: 4.429
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Langella E, Improta R, Barone V
* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (706 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
Impact Factor: 4.585
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Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (752 views)
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
Impact Factor: 4.104
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Arena G, Bonomo RP, Contino A, Sgarlata C, Spoto G, Tabbì G
* Influence of the coordination geometry on the physicochemical properties of a copper(II) complex with a tailor-made calixarene-based ligand bearing dipyridyl pendants. An ESR, UV-Vis and CV study (461 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2004 Oct 21; (20): 3205-3211.
Impact Factor: 2.926
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Vitale RM, Pedone C, De Benedetti PG, Fanelli F
* Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations (739 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.
Impact Factor: 4.429
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Pappalardo M, Milardi D, La Rosa C, Zannoni C, Rizzarelli E, Grasso D
* A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (816 views)
Chem Phys Lett (ISSN: 0009-2614), 2004 Jun 1; 390(4-6): 511-516.
Impact Factor: 2.438
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Leone M, Di Lello P, Ohlenschläger O, Pedone E, Bartolucci S, Rossi M, Di Blasio B, Pedone C, Saviano M, Isernia C, Fattorusso R
* Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability (1291 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004 May 25; 43(20): 6043-6058.
Impact Factor: 4.008
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Dynamic properties of the N-terminal swapped dimer of ribonuclease (538 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Apr; 86(4): 2383-2391.
Impact Factor: 4.585
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Improta R, Barone V
* Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals (425 views)
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
Impact Factor: 20.233
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Musumeci D, Roviello GN, Sica D
* The oxidation of Δ2, Δ2, 4 and Δ4, 6 steroids with RuO4 (609 views)
Steroids (ISSN: 0039-128x), 2004 Mar; 69(3): 173-179.
Impact Factor: 2.337
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Grasso D, Milardi D, La Rosa C, Rizzarelli E
* The different role of Cu++ and Zn++ ions in affecting the interaction of prion peptide PrP106-126 with model membranes (426 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2004 Jan 21; 10(2): 246-247.
Impact Factor: 3.997
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Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (604 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
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Ohlenschlager O, Wohnert J, Bucci E, Seitz S, Hafner S, Ramachandran R, Zell R, Gorlach M
* The Structure of the Stemloop D Subdomain of Coxsackievirus B3 Cloverleaf RNA and Its Interaction with the Proteinase 3C (863 views)
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2004; 12(2): 237-248.
Impact Factor: 5.185
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Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus (782 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Dec 16; 42(49): 14397-14407.
Impact Factor: 3.922
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin (539 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.
Impact Factor: 4.313
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Bashan A, Zarivach R, Schluenzen F, Agmon I, Harms J, Auerbach T, Baram D, Berisio R, Bartels H, Hansen HAS, Fucini P, Wilson D, Peretz M, Kessler M, Yonath A
* Ribosomal crystallography: Peptide bond formation and its inhibition (737 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003 Sep; 70(1): 19-41.
Impact Factor: 2.733
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Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (568 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
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De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (497 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
Impact Factor: 1.377
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Grasso D, Milardi D, Guantieri V, La Rosa C, Rizzarelli E
* Interaction of prion peptide PrP 180-193 with DPPC model membranes: A thermodynamic study (655 views)
New J Chem (ISSN: 1144-0546), 2003; 27(2): 359-364.
Impact Factor: 2.272
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Menziani MC, De Benedetti PG, Langella E, Barone V
* Seeking for binding determinants of the prion protein to human plasminogen (593 views)
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.
Impact Factor: 1.591
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Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (693 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
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Esposito G, Vitagliano L, Santamaria R, Viola A, Zagari A, Salvatore F
* Structural and functional analysis of aldolase B mutants related to hereditary fructose intolerance (473 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2002 Nov 6; 531(2): 152-156.
Impact Factor: 3.912
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Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution (826 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.
Impact Factor: 5.359
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Oliva R, Leone M, Falcigno L, D'Auria G, Dettin M, Scarinci C, Di Bello C, Paolillo L
* Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site (798 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2002 Mar 15; 8(6): 1467-1473.
Impact Factor: 4.238
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Vitagliano L, Merlino A, Zagari A, Mazzarella L
* Reversible substrate-induced domain motions in ribonuclease (661 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2002 Jan 1; 46(1): 97-104.
Impact Factor: 4.096
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites (735 views)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 2.849
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Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (1054 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
Impact Factor: 4.326
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De Luca S, Tesauro D, Di Lello P, Fattorusso R, Saviano M, Pedone C, Morelli G
* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (595 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.
Impact Factor: 1.451
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Zanotti G, Falcigno L, Saviano M, D'Auria G, Bruno BM, Campanile T, Paolillo L
* Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue (658 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001; 7(7): 1479-1485.
Impact Factor: 4.614
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Oliva R, Falcigno L, D'Auria G, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide (565 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 27-36.
Impact Factor: 2.405
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Lombardi A, D'Agostino B, Nastri F, D'Andrea LD, Filippelli A, Falciani M, Rossi F, Pavone V
A novel super-potent neurokinin A receptor antagonist containing dehydroalanine (729 views)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894xprint, 0960-894xlinking), 1998 May 19; 8(10): 1153-1156.
Impact Factor: 1.5
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Pavone V, Lombardi A, Saviano M, Nastri F, Zaccaro L, Maglio O, Pedone C, Omote Y, Yamanaka Y, Yamada T
Conformational Behaviour Of C (alpha, Alpha)-Diphenylglycine: Folded Vs. Extended Structures In Dphig-Containing Tripeptides (661 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1998 Feb; 4(1): 21-32.
Impact Factor: 1.311
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Lombardi A, D'Auria G, Maglio O, Nastri F, Quartara L, Pedone C, Pavone V
A novel rigid β-turn molecular scaffold (637 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 1998; 120(24): 5879-5886.
Impact Factor: 5.725
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Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (628 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.
Impact Factor: 2.425
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D'Andrea LD, Mazzeo M, Isernia C, Rossi F, Saviano M, Gallo P, Paolillo L, Pedone C
Solution conformational preferences of a peptidic analogue of a natural macrolide (490 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(3): 349-361.
Impact Factor: 2.425
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Rossi F, Saviano M, Di Talia P, Di Blasio B, Pedone C, Zanotti G, Mosca M, Saviano G, Tancredi T, Ziegler K, Benedetti E
Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (1264 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996; 40(5): 465-478.
Impact Factor: 2.425
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Pavone V, Lombardi A, Saviano M, Di Blasio B, Nastri F, Fattorusso R, Zaccaro L, Maglio O, Yamada T, Omote Y
Mixed conformation in C(α, α)-disubstituted tripeptides: X-ray crystal structures of Z-Aib-Dph-Gly-OMe and Bz-Dph-Dph-Gly-OMe (561 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Dec; 34(12): 1595-1604.
Impact Factor: 2.425
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Pavone V, Lombardi A, Saviano M, Nastri F, Fattorusso R, Maglio O, Isernia C, Paolillo L, Pedone C
β-alanine containing cyclic peptides with turned structure: The 'pseudo type II β-turn. ' VI (816 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Nov; 34(11): 1517-1526.
Impact Factor: 2.425
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Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (665 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.
Impact Factor: 2.425
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Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (736 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
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Di Blasio B, Lombardi A, D'Auria G, Saviano M, Isernia C, Maglio O, Paolillo L, Pedone C, Pavone V
Beta-Alanine Containing Peptides: Gamma-Turns In Cyclotetrapeptides (754 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Apr; 31(10): 621-631.
Impact Factor: 2.425
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Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (671 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
Impact Factor: 1.283
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Gurrieri S, Rizzarelli E, Beach D, Bustamante C
Imaging of kinked configurations of DNA molecules undergoing orthogonal field alternating gel electrophoresis by fluorescence microscopy (753 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1990 Apr 3; 29(13): 3396-3401.
Impact Factor: 4.572
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* A Survey on Computational Methods in Drug Discovery for Neurodegenerative Diseases (152 views)
Biomolecules, 2024 Oct; 14: 1330-1330.
Impact Factor: 4.8
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Vincenzi M, Mercurio FA, Autiero I, Leone M
* Cancer-Related Mutations in the Sam Domains of EphA2 Receptor and Ship2 Lipid Phosphatase: A Computational Study (151 views)
Molecules (ISSN: 1420-3049linking), 2024 Feb 27; 29 (5 ): N/D-N/D.
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Troisi R, Balasco N, Autiero I, Vitagliano L, Sica F
* Structural Insights into Protein-Aptamer Recognitions Emerged from Experimental and Computational Studies (131 views)
Int J Mol Sci (ISSN: 1422-0067linking), 2023 Nov 14; 24 (22 ): N/D-N/D.
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Autiero I, Roviello GN
* Interaction of Laurusides 1 and 2 with the 3C-like Protease (M(pro)) from Wild-Type and Omicron Variant of SARS-CoV-2: A Molecular Dynamics Study (167 views)
Int J Mol Sci (ISSN: 1422-0067linking), 2023 Mar 14; 24 (6 ): N/D-N/D.
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Autiero I, Roviello GN
* Interaction of Laurusides 1 and 2 with the 3C-like Protease (Mpro) from Wild-Type and Omicron Variant of SARS-CoV-2: A Molecular Dynamics Study (180 views)
International Journal Of Molecular Sciences, 2023 Mar; 25: 5511-5511.
Impact Factor: 5.6
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Rinaldi S, Colombo G, Paladino A
* The dynamics of t1 adenosine binding on human Argonaute 2: Understanding recognition with conformational selection (187 views)
Protein Sci (ISSN: 0961-8368linking), 2022 Aug; 31 (8 ): e4377-N/D.
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Segalina A, Aranda D, Green JA, Cristino V, Caramori S, Prampolini G, Pastore M, Santoro F
* How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach (280 views)
J Chem Theory Comput (ISSN: 1549-9618linking, 1549-9626electronic), 2022 Apr 4; N/D: N/D-N/D.
Impact Factor: 6
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Diaferia C, Rosa E, Balasco N, Sibillano T, Morelli G, Giannini C, Vitagliano L, Accardo A
* The introduction of a cysteine residue modulates the mechanical properties of aromatic-based solid aggregates and self-supporting hydrogels (144 views)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2021 Oct 25; 27(60): 14886-14898.
Impact Factor: 5.236
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Asha H, Green JA, Martinez-fernandez L, Esposito L, Improta R
* Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States (283 views)
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Aug 7; 26(16): N/D-N/D.
Impact Factor: 4.411
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Troisi R, Balasco N, Santamaria A, Vitagliano L, Sica F
* Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human α-thrombin (206 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2021 Jun 30; 181: 858-867.
Impact Factor: 5.162
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Di Gaetano S, Capasso D, Delre P, Pirone L, Saviano M, Pedone E, Mangiatordi GF
* More Is Always Better Than One: The N-Terminal Domain of the Spike Protein as Another Emerging Target for Hampering the SARS-CoV-2 Attachment to Host Cells (280 views)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic), 2021 Jun 16; 22 (12 ): N/D-N/D.
Impact Factor: 2.598
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Alterio V, Langella E, Buonanno M, Esposito D, Nocentini A, Berrino E, Bua S, Polentarutti M, Supuran CT, Monti SM, De Simone G
* Zeta-carbonic anhydrases show CS(2) hydrolase activity: A new metabolic carbon acquisition pathway in diatoms? (237 views)
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 Jun 5; 19: 3427-3436.
Impact Factor: 7.271
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Mulliri S, Laaksonen A, Spanu P, Farris R, Farci M, Mingoia F, Roviello GN, Mocci F
* Spectroscopic and In Silico Studies on the Interaction of Substituted Pyrazolo[1, 2-a]benzo[1, 2, 3, 4]tetrazine-3-one Derivatives with c-Myc G4-DNA (297 views)
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Impact Factor: 5.923
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Farina B, Andrea C, Del Gatto A, Comegna D, Di Gaetano S, Capasso D, Paladino A, Acconcia C, Teresa Gentile M, Saviano M, Fattorusso R, Zaccaro L, Russo L
* A novel approach for studying receptor-ligand interactions on living cells surface by using NUS/T1ρ-NMR methodologies combined with computational techniques: The RGDechi15D-α(v)β(5) integrin complex (234 views)
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 May 29; 19: 3303-3318.
Impact Factor: 7.271
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Marchesani F, Gianquinto E, Autiero I, Michielon A, Campanini B, Faggiano S, Bettati S, Mozzarelli A, Spyrakis F, Bruno S
* The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase (227 views)
Febs J (ISSN: 1742-464xlinking), 2021 May; 288(9): 3034-3054.
Impact Factor: 4.739
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Platella C, Napolitano E, Riccardi C, Musumeci D, Montesarchio D
* Disentangling the Structure-Activity Relationships of Naphthalene Diimides as Anticancer G-Quadruplex-Targeting Drugs (186 views)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2021 Apr 8; 64(7): 3578-3603.
Impact Factor: 7.446
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Troisi R, Balasco N, Vitagliano L, Sica F
* Molecular dynamics simulations of human α-thrombin in different structural contexts: evidence for an aptamer-guided cooperation between the two exosites (195 views)
J Biomol Struct Dyn (ISSN: 0739-1102linking, 1538-0254electronic), 2021 Apr; 39(6): 2199-2209.
Impact Factor: 4.986
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Moccia M, Mercurio FA, Langella E, Piacenti V, Leone M, Adamo MFA, Saviano M
* Structural Insights on Tiny Peptide Nucleic Acid (PNA) Analogues of miRNA-34a: An in silico and Experimental Integrated Approach (217 views)
Front Chem (ISSN: 2296-2646linking), 2020 Nov 23; 8: 568575-568575.
Impact Factor: 3.693
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Santoro AM, D’urso A, Cunsolo A, Milardi D, Purrello R, Sbardella D, Tundo GR, Diana D, Fattorusso R, Di Dato A, Paladino A, Persico M, Coletta M, Fattorusso C
* Cooperative binding of the cationic porphyrin tris-t4 enhances catalytic activity of 20s proteasome unveiling a complex distribution of functional states (213 views)
Int J Mol Sci (ISSN: 1422-0067linking), 2020 Sep 29; 21(19): N/D-N/D.
Impact Factor: 0
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Ronda L, Tonelli A, Sogne E, Autiero I, Spyrakis F, Pellegrino S, Abbiati G, Maffioli E, Schulte C, Piano R, Cozzini P, Mozzarelli A, Bettati S, Clerici F, Milani P, Lenardi C, Tedeschi G, Gelmi ML
* Rational Design of a User-Friendly Aptamer/Peptide-Based Device for the Detection of Staphylococcus aureus (379 views)
Sensors (ISSN: 1424-8220linking, 1424-3210), 2020 Sep 2; 20(17): N/D-N/D.
Impact Factor: 3.275
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Zhang P, Moretti M, Allione M, Tian Y, Ordonez-loza J, Altamura D, Giannini C, Torre B, Das G, Li E, Thoroddsen ST, Sarathy SM, Autiero I, Giugni A, Gentile F, Malara N, Marini M, Di Fabrizio E
* A droplet reactor on a super-hydrophobic surface allows control and characterization of amyloid fibril growth (577 views)
Commun Biol (ISSN: 2399-3642linking), 2020 Aug 20; 3(1): 457-457.
Impact Factor: 12.121
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Montanari R, Capelli D, Yamamoto K, Awaishima H, Nishikata K, Barendregt A, Heck AJR, Loiodice F, Altieri F, Paiardini A, Grottesi A, Pirone L, Pedone E, Peiretti F, Brunel JM, Itoh T, Pochetti G
* Insights into PPARγ Phosphorylation and Its Inhibition Mechanism (375 views)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2020 May 14; 63(9): 4811-4823.
Impact Factor: 6.205
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Dubbioso R, Ruggiero L, Esposito M, Tarantino P, De Angelis M, Aruta F, Pappata S, Ugga L, Piperno A, Iorio R, Santoro L, Iodice R, Manganelli F
* Different cortical excitability profiles in hereditary brain iron and copper accumulation (287 views)
Neurol Sci (ISSN: 1590-1874linking, 1590-3478), 2020 Mar; 41(3): 679-685.
Impact Factor: 1.315
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La Rosa C, Condorelli M, Compagnini G, Lolicato F, Milardi D, Do TN, Karttunen M, Pannuzzo M, Ramamoorthy A, Fraternali F, Collu F, Rezaei H, Strodel B, Raudino A
* Symmetry-breaking transitions in the early steps of protein self-assembly (244 views)
Eur Biophys J (ISSN: 0175-7571linking, 1432-1017), 2020 Mar; 49(2): 175-191.
Impact Factor: 2.094
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Piacenti V, Langella E, Autiero I, Nolan JC, Piskareva O, Adamo MFA, Saviano M, Moccia M
* A combined experimental and computational study on peptide nucleic acid (PNA) analogues of tumor suppressive miRNA-34a (373 views)
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic), 2019 Oct; 91: 103165-103165.
Impact Factor: 3.9
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Iaccarino E, Sandomenico A, Corvino G, Foca G, Severino V, Russo R, Caporale A, Raimondo D, D'Abramo M, Alba J, Chambery A, Ruvo M
* Investigating the oxidative refolding mechanism of Cripto-1 CFC domain (663 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Sep 15; 137: 1179-1189.
Impact Factor: 4.784
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Balasco N, Smaldone G, Vitagliano L
* The Structural Versatility of the BTB Domains of KCTD Proteins and Their Recognition of the GABA(B) Receptor (229 views)
Biomolecules (ISSN: 2218-273xlinking), 2019 Jul 31; 9 (8 ): N/D-N/D.
Impact Factor: 2.095
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Esposito L, Donnarumma F, Ruggiero A, Leone S, Vitagliano L, Picone D
* Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera (457 views)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Jul 15; 133: 1125-1133.
Impact Factor: 4.784
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Paladino A, Civera M, Curnis F, Paolillo M, Gennari C, Piarulli U, Corti A, Belvisi L, Colombo G
The Importance of Detail: How Differences in Ligand Structures Determine Distinct Functional Responses in Integrin α(v) β(3) (134 views)
Chemistry (ISSN: 0947-6539linking), 2019 Apr 23; 25 (23 ): 5959-5970.
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Imperatore C, Persico M, Senese M, Aiello A, Casertano M, Luciano P, Basilico N, Parapini S, Paladino A, Fattorusso C, Menna M
Exploring the antimalarial potential of the methoxy-thiazinoquinone scaffold: Identification of a new lead candidate (99 views)
Bioorg Chem (ISSN: 0045-2068linking), 2019 Apr; 85: 240-252.
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Scollo F, Tempra C, Lolicato F, Sciacca MFM, Raudino A, Milardi D, La Rosa C
* Phospholipids Critical Micellar Concentrations Trigger Different Mechanisms of Intrinsically Disordered Proteins Interaction with Model Membranes (687 views) (PDF 147 views)
J Phys Chem Lett (ISSN: 1948-7185electronic, 1948-7185linking), 2018 Sep 6; 9(17): 5125-5129.
Impact Factor: 6.687
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Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (443 views)
Cell Mol Life Sci (ISSN: 1420-682xlinking), 2018 Sep; 75(17): 3283-3296.
Impact Factor: 6.721
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Balasco N, Barone D, Iaccarino E, Sandomenico A, De Simone A, Ruvo M, Vitagliano L
* Intrinsic structural versatility of the highly conserved 412-423 epitope of the Hepatitis C Virus E2 protein (501 views)
Int J Biol Macromol (ISSN: 1879-0003electronic, 0141-8130linking), 2018 Sep; 116: 620-632.
Impact Factor: 1.427
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Perrella F, Raucci U, Chiariello MG, Chino M, Maglio O, Lombardi A, Rega N
* Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation (497 views)
Biopolymers (ISSN: 1097-0282electronic, 0006-3525linking, 0006-3525print), 2018 Aug; 109(10): e23225-e23225.
Impact Factor: 1.908
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Diaferia C, Balasco N, Sibillano T, Giannini C, Vitagliano L, Morelli G, Accardo A
* Structural Characterization of Self-Assembled Tetra-Tryptophan Based Nanostructures: Variations on a Common Theme (249 views)
Chemphyschem (ISSN: 1439-4235linking, 1439-7641), 2018 Jul 5; 19 (13 ): 1635-1642.
Impact Factor: 3.502
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Goerke S, Breitling J, Zaiss M, Windschuh J, Kunz P, Schuenke P, Paech D, Longo DL, Klika KD, Ladd ME, Bachert P
* Dual-frequency irradiation CEST-MRI of endogenous bulk mobile proteins (571 views)
Nmr Biomed (ISSN: 0952-3480, 1099-1492electronic, 0952-3480linking), 2018 Jun; 31(6): e3920-N/D.
Impact Factor: 2.872
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Martinez-fernandez L, Improta R
* Sequence dependence on DNA photochemistry: a computational study of photodimerization pathways in TpdC and dCpT dinucleotides (977 views)
Photochemical & (ISSN: 1474-9092electronic, 1474-905xlinking), 2018 May 16; 17(5): 586-591.
Impact Factor: 2.939
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Diaferia C, Balasco N, Sibillano T, Ghosh M, Adler-abramovich L, Giannini C, Vitagliano L, Morelli G, Accardo A
* Amyloid-Like Fibrillary Morphology Originated by Tyrosine-Containing Aromatic Hexapeptides (225 views)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic), 2018 May 7; 24 (26 ): 6804-6817.
Impact Factor: 5.476
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Buonanno M, Di Fiore A, Langella E, D’ambrosio K, Supuran CT, Monti SM, De Simone G
* The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior (557 views)
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2018 May; 19(6): 19-24.
Impact Factor: 3.687
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Autiero I, Ruvo M, Improta R, Vitagliano L
* The intrinsic flexibility of the aptamer targeting the ribosomal protein S8 is a key factor for the molecular recognition (556 views)
Bba-Gen Subjects (ISSN: 0304-4165print, 0304-4165linking, 1872-8006electronic), 2018 Apr; 1862(4): 1006-1016.
Impact Factor: 3.829
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Paladino A, Marchetti F, Ponzoni L, Colombo G
The Interplay between Structural Stability and Plasticity Determines Mutation Profiles and Chaperone Dependence in Protein Kinases (78 views)
J Chem Theory Comput (ISSN: 1549-9618linking), 2018 Feb 13; 14 (2 ): 1059-1070.
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Lanza V, Milardi D, Di Natale G, Pappalardo G
* Repurposing of Copper(II)-chelating Drugs for the Treatment of Neurodegenerative Diseases (1090 views)
Curr Med Chem (ISSN: 1875-533xelectronic, 0929-8673linking), 2018 Feb 12; 25(4): 525-539.
Impact Factor: 3.249
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Chawla M, Autiero I, Oliva R, Cavallo L
Energetics and dynamics of the non-natural fluorescent 4AP: DAP base pair (71 views)
Phys Chem Chem Phys (ISSN: 1463-9076linking), 2018 Jan 31; 20 (5 ): 3699-3709.
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Lanza V, Bellia F, Rizzarelli E
* An inorganic overview of natural Aβ fragments: Copper(II) and zinc(II)-mediated pathways (1011 views)
Coord Chem Rev (ISSN: 0010-8545), 2018; 369: 1-14.
Impact Factor: 11.225
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Farina B, Sturlese M, Mascanzoni F, Caporale A, Monti A, Sorbo GD, Fattorusso R, Ruvo M, Doti N
* Binding mode of AIF(370–394) peptide to CypA: insights from NMR, label-free and molecular docking studies (1984 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2018; 475(14): 2377-2393.
Impact Factor: 4.897
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Brancaccio D, Diana D, Di Maro S, Di Leva FS, Tomassi S, Fattorusso R, Russo L, Scala S, Trotta AM, Portella L, Novellino E, Marinelli L, Carotenuto A
* Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells (1312 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2018; 61(7): 2910-2923.
Impact Factor: 5.207
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Oliveri V, Zimbone S, Giuffrida ML, Bellia F, Tomasello MF, Vecchio G
* Porphyrin Cyclodextrin Conjugates Modulate Amyloid Beta Peptide Aggregation and Cytotoxicity (718 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2018; 24(24): 6349-6353.
Impact Factor: 5.476
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Calvanese L, Caporale A, Focà G, Iaccarino E, Sandomenico A, Doti N, Apicella I, Incisivo GM, De Falco S, Falcigno L, D’auria G, Ruvo M
* Targeting VEGF receptors with non-neutralizing cyclopeptides for imaging applications (746 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2017 Dec 2; 50(2): 321-329.
Impact Factor: 2.906
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Galati C, Spinella N, Renna L, Milardi D, Attanasio F, Sciacca MFM, Bongiorno C
* Strategy to discover full-length amyloid-beta peptide ligands using high-efficiency microarray technology (642 views)
Beilstein J Nanotech (ISSN: 2190-4286), 2017 Nov 20; 8(1): 2446-2453.
Impact Factor: 2.968
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Albanese S, Greco A, Auletta L, Mancini M
* Mouse models of neurodegenerative disease: preclinical imaging and neurovascular component (506 views)
Brain Imaging Behav (ISSN: 1931-7557), 2017 Oct 26; N/D: N/D-N/D.
Impact Factor: 3.719
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Magrì A, Tabbì G, Breglia R, De Gioia L, Fantucci P, Bruschi M, Bonomo RP, La Mendola D
* Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: an experimental and theoretical investigation (1289 views) (PDF 210 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2017 Jul 04; 46(26): 8524-8538.
Impact Factor: 4.099
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Mercurio FA, Costantini S, Di Natale C, Pirone L, Guariniello S, Scognamiglio PL, Marasco D, Pedone EM, Leone M
* Structural investigation of a C-terminal EphA2 receptor mutant: Does mutation affect the structure and interaction properties of the Sam domain? (775 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639linking), 2017 Jun 06; 1865(9): 1095-1104.
Impact Factor: 4.28
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Ruggiero A, Squeglia F, Romano M, Vitagliano L, De Simone A, Berisio R
* Structure and dynamics of the multi-domain resuscitation promoting factor RpfB from Mycobacterium tuberculosis (597 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2017 May; 35(6): 1322-1330.
Impact Factor: 3.107
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Leiria Campo V, Riul TB, Oliveira Bortot L, Martins-teixeira MB, Fiori Marchiori M, Iaccarino E, Ruvo M, Dias-baruffi M, Carvalho I
* A Synthetic MUC1 Glycopeptide Bearing betaGalNAc-Thr as a Tn Antigen Isomer Induces the Production of Antibodies against Tumor Cells (1746 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2017 Mar 16; 18(6): 527-538.
Impact Factor: 2.774
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Gargiulo S, Coda AR, Panico M, Gramanzini M, Moresco RM, Chalon S, Pappata S
* Molecular imaging of neuroinflammation in preclinical rodent models using positron emission tomography (588 views)
Q J Nucl Med Mol Im (ISSN: 1824-4785, 1824-4478, 1827-1936), 2017 Mar; 61(1): 60-75.
Impact Factor: 2.368
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Barone D, Balasco N, Autiero I, Vitagliano L
* The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics (115 views)
J Biomol Struct Dyn (ISSN: 0739-1102linking), 2017 Mar; 35 (4 ): 805-816.
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Paladino A, Civera M, Belvisi L, Colombo G
High Affinity vs. Native Fibronectin in the Modulation of αvβ3 Integrin Conformational Dynamics: Insights from Computational Analyses and Implications for Molecular Design (269 views)
Plos Comput Biol (ISSN: 1553-734xlinking), 2017 Jan 23; 13 (1 ): e1005334-N/D.
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Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
* Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs (600 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(11): 2619-2627.
Impact Factor: 5.16
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Monti S, Cocozza S, Borrelli P, Straub S, Ladd ME, Salvatore M, Tedeschi E, Palma G
* MAVEN: An Algorithm for Multi-Parametric Automated Segmentation of Brain Veins from Gradient Echo Acquisitions (574 views) (PDF 227 views)
Ieee T Med Imaging (ISSN: 0278-0062), 2017; 36(5): 1054-1065.
Impact Factor: 6.131
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Di Matteo A, Franceschini M, Paiardini A, Grottesi A, Chiarella S, Rocchio S, Di Natale C, Marasco D, Vitagliano L, Travaglini-allocatelli C, Federici L
* Structural investigation of Nucleophosmin interaction with the tumor suppressor Fbw7γ (509 views)
Oncogenesis (ISSN: 2157-9024), 2017; 6(9): N/D-N/D.
Impact Factor: 4.722
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Barone D, Balasco N, Autiero I, Vitagliano L
* The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics (445 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Dec; N/D: 1-12.
Impact Factor: 3.123
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Diaferia C, Sibillano T, Balasco N, Giannini C, Roviello V, Vitagliano L, Morelli G, Accardo A
* Hierarchical Analysis of Self-Assembled PEGylated Hexaphenylalanine Photoluminescent Nanostructures (554 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Nov 7; 22(46): 16586-16597.
Impact Factor: 5.317
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Barone D, Balasco N, Vitagliano L
* KCTD5 is endowed with large, functionally relevant, interdomain motions (462 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Aug; 34(8): 1725-1735.
Impact Factor: 3.123
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Smaldone G, Vigorita M, Ruggiero A, Balasco N, Dattelbaum JD, D'Auria S, Del Vecchio P, Graziano G, Vitagliano L
* Proline 235 plays a key role in the regulation of the oligomeric states of Thermotoga maritima Arginine Binding Protein (814 views)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2016 Jul; 1864(7): 814-824.
Impact Factor: 4.932
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Varrone A, Pappata S, Quarantelli M
* Movement disorders: Focus on Parkinson’s disease and related disorders (701 views)
Pet Ct And Pet Mri In Neurology (ISSN: 9783-3193161479783319316123), 2016; N/D: 103-125.
Impact Factor: 0
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Oliveri V, Bellia F, Grasso GI, Pietropaolo A, Vecchio G
* Trehalose-8-hydroxyquinoline conjugates as antioxidant modulators of Aβ aggregation (1042 views)
Rsc Adv (ISSN: 2046-2069, 2046-2069electronic), 2016; 6(53): 47229-47236.
Impact Factor: 3.108
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Diana D, De Rosa L, Palmieri M, Russomanno A, Russo L, La Rosa C, Milardi D, Colombo G, D'Andrea LD, Fattorusso R
* Long range Trp-Trp interaction initiates the folding pathway of a pro-angiogenic beta-hairpin peptide (1200 views)
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2015 Nov 25; 5: 16651-16651.
Impact Factor: 5.228
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Karlsson J, Morgillo CM, Deplano A, Smaldone G, Pedone E, Luque FJ, Svensson M, Novellino E, Congiu C, Onnis V, Catalanotti B, Fowler CJ
* Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding Mode (259 views)
Plosone (ISSN: 1932-6203linking, 1932-6203electronic), 2015 Nov 13; 10 (11 ): e0142711-N/D.
Impact Factor: 4.351
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Paladino A, Morra G, Colombo G
Structural Stability and Flexibility Direct the Selection of Activating Mutations in Epidermal Growth Factor Receptor Kinase (264 views)
J Chem Inf Model (ISSN: 1549-9596linking), 2015 Jul 27; 55 (7 ): 1377-1387.
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Calce E, Monfregola L, Saviano M, De Luca S
* HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor (957 views)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.
Impact Factor: 3.455
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Smaldone G, Pirone L, Balasco N, Di Gaetano S, Pedone E, Vitagliano L
* Cullin 3 recognition is not a universal property among KCTD proteins (1246 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 May 14; 10(5): e0126808-e0126808.
Impact Factor: 3.057
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De Paola I, Pirone L, Palmieri M, Balasco N, Esposito L, Russo L, Mazza D, Di Marcotullio L, Di Gaetano S, Malgieri G, Vitagliano L, Pedone E, Zaccaro L
* Cullin3 - BTB interface: A novel target for stapled peptides (880 views) (PDF 90 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015 Apr 7; 10(4): e0121149-e0121149.
Impact Factor: 3.057
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Nikitushkin VD, Demina GR, Shleeva MO, Guryanova SV, Ruggiero A, Berisio R, Kaprelyants AS
* A product of RpfB and RipA joint enzymatic action promotes the resuscitation of dormant mycobacteria (727 views)
Febs J (ISSN: 1742-464x), 2015 Apr 3; 282(13): 2500-2511.
Impact Factor: 4.237
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Di Natale G, Turi I, Pappalardo G, Sóvágó I, Rizzarelli E
* Cross-Talk Between the Octarepeat Domain and the Fifth Binding Site of Prion Protein Driven by the Interaction of Copper(II) with the N-terminus (634 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015 Mar 2; 21(10): 4071-4084.
Impact Factor: 5.771
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Calvanese L, Falcigno L, D'Auria G
* Essential Dynamics Analysis Captures the Concerted Motion of the Integrin-Binding Site in Jerdostatin, an RTS Disintegrin (654 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2015 Mar; 103(3): 158-166.
Impact Factor: 2.248
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Autiero I, Saviano M, Langella E
* Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach (766 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015 Feb 16; 91: 109-117.
Impact Factor: 3.902
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Balasco N, Barone D, Vitagliano L
* Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations (674 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2015 Jan 12; 33(10): 2173-2179.
Impact Factor: 2.3
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Antonini D, Sirico A, Aberdam E, Ambrosio R, Campanile C, Fagoonee S, Altruda F, Aberdam D, Brissette JL, Missero C
* A composite enhancer regulates p63 gene expression in epidermal morphogenesis and in keratinocyte differentiation by multiple mechanisms (1152 views)
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962), 2015 Jan; 43(2): 862-874.
Impact Factor: 9.202
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Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
* Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches (734 views)
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2015; 119(21): 5426-5438.
Impact Factor: 2.883
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Calce E, Vitale RM, Scaloni A, Amodeo P, De Luca S
* Air oxidation method employed for the disulfide bond formation of natural and synthetic peptides (802 views)
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015; 47(8): 1507-1515.
Impact Factor: 3.196
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Vincenzi M, Costantini S, Scala S, Tesauro D, Accardo A, Leone M, Colonna G, Guillon J, Portella L, Trotta AM, Ronga L, Rossi F
* Conformational ensembles explored dynamically from disordered peptides targeting chemokine receptor CXCR4 (843 views)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(6): 12159-12173.
Impact Factor: 3.257
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Yousif AM, Minopoli M, Bifulco K, Ingangi V, Di Carluccio G, Merlino F, Motti ML, Grieco P, Carriero MV
* Cyclization of the urokinase receptor-derived Ser-Arg-Ser-Arg-Tyr peptide generates a potent inhibitor of trans-endothelial migration of monocytes (720 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2015; 10(5): N/D-N/D.
Impact Factor: 3.057
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Vitiello G, Falanga A, Petruk AA, Merlino A, Fragneto G, Paduano L, Galdiero S, D'Errico G
* Fusion of raft-like lipid bilayers operated by a membranotropic domain of the HSV-type I glycoprotein gH occurs through a cholesterol-dependent mechanism (680 views)
Soft Matter (ISSN: 1744-683x), 2015; 11(15): 3003-3016.
Impact Factor: 3.798
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Carbonniere P, Pouchan C, Improta R
* Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: An ab initio molecular dynamics study (539 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2015; 17(17): 11615-11626.
Impact Factor: 4.449
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Milardi D, Pappalardo M
* Molecular dynamics: New advances in drug discovery (612 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.
Impact Factor: 3.902
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Lolicato F, Raudino A, Milardi D, La Rosa C
* Resveratrol interferes with the aggregation of membrane-bound human-IAPP: A molecular dynamics study (1404 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 92: 876-881.
Impact Factor: 3.902
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Russo L, Palmieri M, Caso JV, Abrosca GD, Diana D, Malgieri G, Baglivo I, Isernia C, Pedone PV, Fattorusso R
* Towards understanding the molecular recognition process in prokaryotic zinc-finger domain (1058 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 100-108.
Impact Factor: 3.902
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Oliveri V, Bellia F, Pietropaolo A, Vecchio G
* Unusual Cyclodextrin Derivatives as a New Avenue to Modulate Self- and Metal-Induced Aβ Aggregation (1020 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015; 21(40): 14047-14059.
Impact Factor: 5.771
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Benetti F, Biarnés X, Attanasio F, Giachin G, Rizzarelli E, Legname G
* Structural determinants in prion protein folding and stability (1371 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 0022-2836linking), 2014 Nov 11; 426(22): 3796-3810.
Impact Factor: 4.333
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Correale S, de Paola I, Morgillo CM, Federico A, Zaccaro L, Pallante P, Galeone A, Fusco A, Pedone E, Luque FJ, Catalanotti B
* Structural Model of the hUbA1-UbcH10 Quaternary Complex: In Silico and Experimental Analysis of the Protein-Protein Interactions between E1, E2 and Ubiquitin (775 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Nov 6; 9(11): e112082-e112082.
Impact Factor: 3.234
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Mercurio FA, Scognamiglio PL, Di Natale C, Marasco D, Pellecchia M, Leone M
* Cd And Nmr Conformational Studies Of A Peptide Encompassing The Mid Loop Interface Of Ship2-Sam (517 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014 Nov; 101(11): 1088-1098.
Impact Factor: 2.385
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Perani D, Della Rosa PA, Cerami C, Gallivanone F, Fallanca F, Vanoli EG, Panzacchi A, Nobili F, Pappata S, Marcone A, Garibotto V, Castiglioni I, Magnani G, Cappa SF, Gianolli L; EADC-PET Consortium
* Validation of an optimized SPM procedure for FDG-PET in dementia diagnosis in a clinical setting (816 views)
Neuroimage Clin (ISSN: 2213-1582, 2213-1582electronic, 2213-1582linking), 2014 Oct 24; 6: 445-454.
Impact Factor: 2.526
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Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A
* Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH(4)R Antagonism (554 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 16; 9(10): e109340-e109340.
Impact Factor: 3.234
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Vitale RM, Zaccaro L, Di Blasio B, Fattorusso R, Isernia C, Amodeo P, Pedone C, Saviano M
* Conformational features of human melanin-concentrating hormone: an NMR and computational analysis (687 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2014 Sep 17; 4(1): 73-81.
Impact Factor: 3.088
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Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
* Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides (638 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.
Impact Factor: 12.113
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Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
* Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations (693 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.
Impact Factor: 4.882
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Tomasello MF, Sinopoli A, Attanasio F, Giuffrida ML, Campagna T, Milardi D, Pappalardo G
* Molecular and cytotoxic properties of hIAPP17-29 and rIAPP17-29 fragments: A comparative study with the respective full-length parent polypeptides (1574 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2014 Jun 23; 81: 442-455.
Impact Factor: 3.447
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Ruggiero A, Dattelbaum JD, Staiano M, Berisio R, D'Auria S, Vitagliano L
* A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima (924 views)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 May 15; 9(5): e96560-e96560.
Impact Factor: 3.234
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Basile L, Pappalardo M, Guccione S, Milardi D, Ramsay RR
* Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases (661 views)
J Chem Inf Model (ISSN: 1549-9596), 2014 Apr 28; 54(4): 1200-1207.
Impact Factor: 3.738
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Tedeschi E, Lanzillo R, Mancini M, Russo C, Cianflone A, Liuzzi R, Cocozza S, Postiglione E, Palma G, Caprio MG, Incoronato MR, Criscuolo C, Brescia Morra V, Salvatore M
* Imaging Of Brain Perfusion In Multiple Sclerosis And Neurodegenerative Diseases: Association With Endothelial Factors. An Interim Analysis (481 views) (PDF 249 views)
2014 Joint Actrims-Ectrims Meeting, 2014 Apr 28; N/D: N/D-N/D.
Impact Factor: 0
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Squeglia F, Bachert B, De Simone A, Lukomski S, Berisio R
* The crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group a streptococcus shows significant similarity to immunomodulatory HIV protein gp41 (877 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2014 Feb 21; 289(8): 5122-5133.
Impact Factor: 4.573
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Autiero I, Saviano M, Langella E
* Molecular Dynamics Simulations Of Pna-Pna And Pna-Dna Duplexes By The Use Of New Parameters Implemented In The Gromacs Package: A Conformational And Dynamics Study (1357 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014 Feb 7; 16(5): 1868-1874.
Impact Factor: 4.493
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Hayafune M, Berisio R, Marchetti R, Silipo A, Kayama M, Desaki Y, Arima S, Squeglia F, Ruggiero A, Tokuyasu K, Molinaro A, Kaku H, Shibuya N
* Chitin-induced activation of immune signaling by the rice receptor CEBiP relies on a unique sandwich-type dimerization (1890 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Jan 21; 111(3): E404-E404.
Impact Factor: 9.674
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Forte G, Travaglia A, Magrì A, Satriano C, La Mendola D
* Adsorption of NGF and BDNF derived peptides on gold surfaces (695 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(4): 1536-1544.
Impact Factor: 4.493
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Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A, Morelli G, Berisio R, Galdiero M, Galdiero S
* Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides (953 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8366-8376.
Impact Factor: 5.48
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Autiero I, Langella E, Saviano M
* Insights Into The Mechanism Of Interaction Between Trehalose-Conjugated Beta-Sheet Breaker Peptides And Aβ(1-42) Fibrils By Molecular Dynamics Simulations (1093 views)
Mol Biosyst (ISSN: 1742-206x, 1742-2206, 1742-2051linking), 2013 Nov; 9(11): 2835-2841.
Impact Factor: 3.18
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Petruk AA, Varriale S, Coscia MR, Mazzarella L, Merlino A, Oreste U
* The Structure Of The Cd3 Zeta Zeta Transmembrane Dimer In Popc And Raft-Like Lipid Bilayer: A Molecular Dynamics Study (673 views)
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002e, 0005-2736print), 2013 Nov; 1828(11): 2637-2645.
Impact Factor: 3.498
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Paladino A, Zangi R
Propensities for loop structures of RNA & DNA backbones (379 views)
Biophys Chem (ISSN: 0301-4622linking), 2013 Oct; 180-181: 110-118.
Impact Factor:
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Arena G, Bellia F, Frasca G, Grasso G, Lanza V, Rizzarelli E, Tabbì G, Zito V, Milardi D
* Inorganic stressors of ubiquitin (557 views) (PDF 236 views)
Inorg Chem (ISSN: 1520-510x, 1520-510xelectronic, 0020-1669linking), 2013 Sep 19; 52(16): 9567-9573.
Impact Factor: 4.794
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Alcides Petruk A, Vergara A, Estrin D, Merlino A
* Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study (631 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2013 Sep 2; 587(15): 2393-2398.
Impact Factor: 3.341
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Russo L, Raiola L, Campitiello MA, Magrì A, Fattorusso R, Malgieri G, Pappalardo G, La Mendola D, Isernia C
* Probing the residual structure in avian prion hexarepeats by CD, NMR and MD techniques (683 views)
Molecules (ISSN: 1420-3049, 1420-3049electronic, 1420-3049linking), 2013 Sep; 18(9): 11467-11484.
Impact Factor: 2.095
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Autiero I, Saviano M, Langella E
* In silico investigation and targeting of amyloid beta oligomers of different size (671 views)
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic, 1742-2051linking), 2013 Aug; 9(8): 2118-2124.
Impact Factor: 3.18
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Squeglia F, Romano M, Ruggiero A, Vitagliano L, De Simone A, Berisio R
* Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses (793 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2013 Jun 4; 104(11): 2530-2539.
Impact Factor: 3.832
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De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
* The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics (952 views)
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.
Impact Factor: 2.983
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Attanasio F, Convertino M, Magno A, Caflisch A, Corazza A, Haridas H, Esposito G, Cataldo S, Pignataro B, Milardi D, Rizzarelli E
* Carnosine Inhibits Abeta(42) Aggregation By Perturbing The H-Bond Network In And Around The Central Hydrophobic Cluster (1366 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2013 Mar 18; 14(5): 583-592.
Impact Factor: 3.06
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Ruggiero A, Marchant J, Squeglia F, Makarov V, De Simone A, Berisio R
* Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis (774 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2013 Feb 1; 31(2): 195-205.
Impact Factor: 2.983
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Causa F, Della Moglie R, Iaccino E, Mimmi S, Marasco D, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
* Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces (617 views)
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking), 2013 Jan 1; 389(1): 220-229.
Impact Factor: 1.646
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Pannuzzo M, Milardi D, Raudino A, Karttunen M, La Rosa C
* Analytical model and multiscale simulations of Aβ peptide aggregation in lipid membranes: Towards a unifying description of conformational transitions, oligomerization and membrane damage (952 views)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2013; 15(23): 8940-8951.
Impact Factor: 4.198
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Vitiello G, Fragneto G, Petruk AA, Falanga A, Galdiero S, D'Ursi A, Merlino A, D'Errico G
* Cholesterol modulates the fusogenic activity of a membranotropic domain of the FIV glycoprotein gp36 (783 views)
Soft Matter (ISSN: 1744-683x), 2013; 9(28): 6442-6456.
Impact Factor: 4.151
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Picconi D, Avila Ferrer FJ, Improta R, Lami A, Santoro F
* Quantum-classical effective-modes dynamics of the ππ * → nπ* decay in 9H-adenine. A quadratic vibronic coupling model (491 views)
Faraday Discuss (ISSN: 1359-6640, 1359-6640print, 1359-6640linking), 2013; 163: 223-242.
Impact Factor: 4.194
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Berisio R, Ciccarelli L, Squeglia F, De Simone A, Vitagliano L
* Structural and Dynamic properties of incomplete immunoglobulin-like fold domains (826 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1045-1053.
Impact Factor: 1.994
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Stanzione F, De Simone A, Esposito L, Vitagliano L
* Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide (666 views)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Sep; 19(8): 846-851.
Impact Factor: 1.994
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Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
* Interactions of two O-phosphorylresveratrol derivatives with model membranes (563 views)
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986), 2012 May; 521(1-2): 111-116.
Impact Factor: 0
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Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M, Improta R, Pavone M, Rega N
* Effects of molecular dynamics and solvation on the electronic structure of molecular probes (624 views)
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.
Impact Factor: 2.233
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Balsamo A, Sannino F, Merlino A, Parrilli E, Tutino ML, Mazzarella L, Vergara A
* Role of the tertiary and quaternary structure in the formation of bis-histidyl adducts in cold-adapted hemoglobins (647 views)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Apr; 94(4): 953-960.
Impact Factor: 3.142
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Sandomenico A, Russo A, Palmieri G, Bergamo P, Gogliettino M, Falcigno L, Ruvo M
* Small peptide inhibitors of acetyl-peptide hydrolase having an uncommon mechanism of inhibition and a stable bent conformation (771 views)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012 Mar 8; 55(5): 2102-2111.
Impact Factor: 5.614
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Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
* Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study (669 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.
Impact Factor: 3.607
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Cirillo G, Colangelo AM, Bianco MR, Cavaliere C, Zaccaro L, Sarmientos P, Alberghina L, Papa M
* BB14, a Nerve Growth Factor (NGF)-like peptide shown to be effective in reducing reactive astrogliosis and restoring synaptic homeostasis in a rat model of peripheral nerve injury (566 views)
Biotechnology Advances (ISSN: 0734-9750), 2012 Jan; 30(1): 223-232.
Impact Factor: 9.599
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Cantisani M, Vitiello M, Falanga A, Finamore E, Galdiero M, Galdiero S
* Peptides complementary to the active loop of porin P2 from Haemophilus influenzae modulate its activity (684 views)
Int J Nanomed (ISSN: 1178-2013, 1176-9114, 1178-2013electronic), 2012; 7: 2361-2371.
Impact Factor: 3.463
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Satriano C, Fragalà ME, Forte G, Santoro AM, La Mendola D, Kasemo B
* Surface adsorption of fibronectin-derived peptide fragments: The influence of electrostatics and hydrophobicity for endothelial cells adhesion (440 views)
Soft Matter (ISSN: 1744-683x), 2012; 8(1): 53-56.
Impact Factor: 3.909
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Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
* Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution (583 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.
Impact Factor: 9.907
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Bellia F, Vecchio G, Cuzzocrea S, Calabrese V, Rizzarelli E
* Neuroprotective features of carnosine in oxidative driven diseases (800 views)
Molecular Aspects Of Medicine (ISSN: 1872-9452, 0098-2997), 2011 Sep; 32(4-6): 258-266.
Impact Factor: 9.97
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Vitagliano L, Berisio R, De Simone A
* Role of hydration in collagen recognition by bacterial adhesins (1196 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2011 May 4; 100(9): 2253-2261.
Impact Factor: 3.653
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Boechi L, Marti MA, Vergara A, Sica F, Mazzarella L, Estrin DA, Merlino A
* Protonation of Histidine 55 Affects the Oxygen Access to Heme in the Alpha Chain of the Hemoglobin from the Antarctic Fish Trematomus bernacchii (472 views)
Iubmb Life (ISSN: 1521-6543, 1521-6551), 2011 Mar; 63(3): 175-182.
Impact Factor: 3.514
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Grasso G, Pietropaolo A, Spoto G, Pappalardo G, Tundo GR, Ciaccio C, Coletta M, Rizzarelli E
* Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease (733 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2011 Feb 25; 17(9): 2752-2762.
Impact Factor: 5.925
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Milardi D, Sciacca MFM, Pappalardo M, Grasso DM, La Rosa C
* The Role Of Aromatic Side-Chains In Amyloid Growth And Membrane Interaction Of The Islet Amyloid Polypeptide Fragment Lanflvh (740 views)
Eur Biophys J, 2011 Jan; 40(1): 1-12.
Impact Factor: 3.832
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Varriale S, Merlino A, Coscia MR, Mazzarella L, Oreste U
* An evolutionary conserved motif is responsible for Immunoglobulin heavy chain packing in the B cell membrane (708 views)
Molecular Phylogenetics And Evolution (ISSN: 1055-7903), 2010 Dec; 57(3): 1238-1244.
Impact Factor: 3.889
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D'Auria G, Esposito C, Falcigno L, Calvanese L, Iaccarino E, Ruggiero A, Pedone C, Pedone E, Berisio R
* Dynamical properties of cold shock protein A from Mycobacterium tuberculosis (624 views)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2010 Nov 26; 402(4): 693-698.
Impact Factor: 2.595
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Stanzione F, Esposito L, Paladino A, Pedone C, Morelli G, Vitagliano L
* Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors (703 views)
Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking), 2010 Oct 6; 99(7): 2273-2278.
Impact Factor: 4.218
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Farina B, Pirone L, Russo L, Viparelli F, Doti N, Pedone C, Pedone E, Fattorusso R
* NMR backbone dynamics studies of human PED/PEA-15 outline protein functional sites (1042 views)
Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic), 2010 Oct; 277(20): 4229-4240.
Impact Factor: 3.129
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Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
* Optical properties of guanine nanowires: Experimental and theoretical study (432 views)
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.
Impact Factor: 4.524
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Paladino A, Colonna G, Facchiano AM, Costantini S
Functional hypothesis on miraculin' sweetness by a molecular dynamics approach (111 views)
Biochem Biophys Res Commun (ISSN: 0006-291xlinking), 2010 Jun 4; 396 (3 ): 726-730.
Impact Factor:
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Merlino A, Vergara A, Sica F, Aschi M, Amadei A, Di Nola A, Mazzarella L
* Free-Energy Profile for CO Binding to Separated Chains of Human and Trematomus newnesi Hemoglobin: Insights from Molecular Dynamics Simulations and Perturbed Matrix Method (486 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.
Impact Factor: 3.603
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Diana D, Ziaco B, Scarabelli G, Pedone C, Colombo G, D'Andrea LD, Fattorusso R
* Structural analysis of a helical peptide unfolding pathway (703 views)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.
Impact Factor: 5.476
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Sciacca MFM, Pappalardo M, Attanasio F, Milardi D, La Rosa C, Grasso DM
* Are fibril growth and membrane damage linked processes? An experimental and computational study of IAPP(12-18) and IAPP(21-27) peptides (583 views)
New J Chem (ISSN: 1144-0546), 2010; 34(2): 200-207.
Impact Factor: 2.631
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Milardi D, Pappalardo M, Grasso DM, La Rosa C
* Unveiling the unfolding pathway of FALS associated G37R SOD1 mutant: A computational study (565 views)
Mol Biosyst (ISSN: 1742-206x), 2010; 6(6): 1032-1039.
Impact Factor: 3.825
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Pietropaolo A, Muccioli L, Zannoni C, Rizzarelli E
* Conformational preferences of the full chicken prion protein in solution and its differences with respect to mammals (730 views)
Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic), 2009 Jul 13; 10(9-10): 1500-1510.
Impact Factor: 3.453
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Di Fiore A, Fiorentino G, Vitale RM, Ronca R, Amodeo P, Pedone C, Bartolucci S, De Simone G
* Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins (906 views)
J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic), 2009 May 8; 388(3): 559-569.
Impact Factor: 3.871
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Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
* The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics (1036 views)
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.
Impact Factor: 3.042
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Molecular dynamics studies of the P pilus rod subunit PapA (837 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.
Impact Factor: 1.807
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Calabrese V, Cornelius C, Mancuso C, Barone E, Calafato S, Bates T, Rizzarelli E, Kostova AT
* Vitagenes, dietary antioxidants and neuroprotection in neurodegenerative diseases (1950 views)
Frontiers In Bioscience (ISSN: 1093-4715, 1093-9946), 2009 Jan 1; 14: 376-397.
Impact Factor: 3.736
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Vitagliano L, Esposito L, Pedone C, De Simone A
* Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association (911 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Dec 26; 377(4): 1036-1041.
Impact Factor: 2.648
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Calabrese V, Cornelius C, Mancuso C, Pennisi G, Calafato S, Bellia F, Bates TE, Giuffrida Stella AM, Schapira T, Dinkova Kostova AT, Rizzarelli E
* Cellular stress response: a novel target for chemoprevention and nutritional neuroprotection in aging, neurodegenerative disorders and longevity (1592 views)
Neurochemical Research (ISSN: 1573-6903, 0364-3190), 2008 Dec; 33(12): 2444-2471.
Impact Factor: 2.26
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La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
* Prion proteins leading to neurodegeneration (566 views)
Current Alzheimer Research (ISSN: 1567-2050), 2008 Dec; 5(6): 579-590.
Impact Factor: 4.132
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Caraci F, Busceti C, Biagioni F, Aronica E, Mastroiacovo F, Cappuccio I, Battaglia G, Bruno V, Caricasole A, Copani A, Nicoletti
* The Wnt antagonist, Dickkopf-1, as a target for the treatment of neurodegenerative disorders (586 views)
Neurochemical Research (ISSN: 0364-3190, 1573-6903), 2008 Dec; 33(12): 2401-2406.
Impact Factor: 2.26
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Milardi D, Pappalardo M, Pannuzzo M, Grasso DM, Rosa CL
* The role of the Cys2-Cys7 disulfide bridge in the early steps of Islet amyloid polypeptide aggregation: A molecular dynamics study (537 views)
Chem Phys Lett (ISSN: 0009-2614), 2008 Oct 1; 463(4-6): 396-399.
Impact Factor: 2.169
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Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
* Structure and dimerization of the teleost transmembrane immunoglobulin region (647 views)
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.
Impact Factor: 2.347
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De Simone A, Esposito L, Pedone C, Vitagliano L
* Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses (1260 views)
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.
Impact Factor: 4.683
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* Conformational states and association mechanism of Yersinia pestis Caf1 subunits (614 views)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2008 Sep 8; 372(4): 804-810.
Impact Factor: 2.648
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De Simone A, Vitagliano L, Berisio R
* Role of hydration in collagen triple helix stabilization (744 views)
Biochem Biophys Res Commun (ISSN: 0006-291x), 2008 Jul 18; 372(1): 121-125.
Impact Factor: 2.648
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Varrone A, Sansone V, Pellecchia MT, Amboni M, Salvatore E, De Michele G, Filla A, Barone P, Pappata S, Salvatore M
* Comparison between a dual-head and a brain-dedicated SPECT system in the measurement of the loss of dopamine transporters with [123I]FP-CIT (502 views)
Eur J Nucl Med (ISSN: 1619-7070, 1619-7089, 0340-6997), 2008 Jul; 35(7): 1343-1349.
Impact Factor: 4.532
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D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT
* Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii (1065 views)
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.
Impact Factor: 4.898
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Esposito L, Paladino A, Pedone C, Vitagliano L
* Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations (679 views)
Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking), 2008 May 15; 94(10): 4031-4040.
Impact Factor: 4.683
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De Simone A, Pedone C, Vitagliano L
* Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF (660 views)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Feb 15; 366(3): 800-806.
Impact Factor: 2.648
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Salvatore E, Varrone A, Criscuolo C, Mancini P, Sansone V, Strisciuglio C, Cicala D, Scarano V, Salvatore M, Pappata S, De Michele G, Filla A
* Nigrostriatal involvement in ataxia with oculomotor apraxia type (486 views)
J Neurol (ISSN: 0340-5354print, 0340-5354linking, 1432-1459electronic), 2008 Jan; 255(1): 45-48.
Impact Factor: 2.536
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Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
* Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3 (601 views)
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.
Impact Factor: 3.139
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Marchelli R, Saviano M, Licandro E, Spoto G, Borgatti M, Gambari R
* PNAs targeting the "RNA world": Micro RNA next? (707 views)
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 183-188.
Impact Factor: 0.1
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Barbarulo AM, Pappata S, Puoti G, Prinster A, Grossi D, Cotrufo R, Salvatore M, Trojano L
* Rehabilitation of gesture imitation: a case study with fMRI (608 views)
Neurocase (ISSN: 1465-3656, 1355-4794), 2008; 14(4): 293-306.
Impact Factor: 0.918
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Diana D, Ziaco B, Colombo G, Scarabelli G, Romanelli A, Fedone C, Fattorusso R, D'Andrea LD
* Structural determinants of the unusual helix stability of a de novo engineered vascular endothelial growth factor (VEGF) mimicking peptide (686 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2008; 14(14): 4164-4166.
Impact Factor: 5.454
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Staiano M, Saviano M, Herman P, Grycznyski Z, Fini C, Varriale A, Parracino A, Kold AB, Rossi M, D'Auria S
* Time-resolved fluorescence spectroscopy and molecular dynamics simulations point out the effects of pressure on the stability and dynamics of the porcine odorant-binding protein (1152 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.
Impact Factor: 2.823
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Calabrese V, Mancuso C, Calvani M, Rizzarelli E, Butterfield DA, Stella AM
* Nitric oxide in the central nervous system: neuroprotection versus neurotoxicity (1284 views)
Nature Reviews Neuroscience (ISSN: 1471-0048), 2007 Oct; 8(10): 766-775.
Impact Factor: 24.52
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Pietropaolo A, Raiola L, Muccioli L, Tiberio G, Zannoni C, Fattorusso R, Isernia C, La Mendola D, Pappalardo G, Rizzarelli E
* An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (423 views)
Chem Phys Lett (ISSN: 0009-2614), 2007 Jul 6; 442(1-3): 110-118.
Impact Factor: 2.207
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Vitale RM, Pedone C, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT, De Simone G
* Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA (465 views)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.
Impact Factor: 2.662
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Vitagliano L, Ruggiero A, Pedone C, Berisio R
* A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis (668 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2007 Apr 6; 367(4): 935-941.
Impact Factor: 4.472
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Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
* Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments (820 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.
Impact Factor: 3.354
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Santoro F, Barone V, Improta R
* Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations (1034 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.
Impact Factor: 9.598
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Pappalardo M, Milardi D, Grasso D, La Rosa C
* Steered molecular dynamics studies reveal different unfolding pathways of prions from mammalian and non-mammalian species (518 views)
New J Chem (ISSN: 1144-0546), 2007; 31(6): 901-905.
Impact Factor: 2.651
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Milardi D, Arnesano F, Grasso G, Magrì A, Tabbì G, Scintilla S, Natile G, Rizzarelli E
* Ubiquitin stability and the Lys63-linked polyubiquitination site are compromised on copper binding (542 views)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2007; 46(42): 7993-7995.
Impact Factor: 10.031
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Santoro F, Barone V, Gustavsson T, Improta R
* Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water (1298 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.
Impact Factor: 7.696
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Di Gaetano S, Guglielmi F, Arciello A, Mangione P, Monti M, Pagnozzi D, Raimondi S, Giorgetti S, Orru S, Canale C, Pucci P, Dobson CM, Bellotti V, Piccoli R
* Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential (529 views)
Biochemical And Biophysical Research Communications (ISSN: 0006-291x, 0006-291xprint), 2006 Dec 8; 351(1): 223-228.
Impact Factor: 2.855
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Esposito L, Pedone C, Vitagliano L
* Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation (1234 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.
Impact Factor: 9.643
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Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation (559 views)
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.
Impact Factor: 3.247
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Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
* Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics (478 views)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.
Impact Factor: 3.166
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Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V, Improta R
* Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water (469 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jul 6; 110(26): 12843-12847.
Impact Factor: 4.115
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Langella E, Improta R, Crescenzi O, Barone V
* Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations (903 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.
Impact Factor: 3.73
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Merlino A, Esposito L, Vitagliano L
* Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study (888 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.
Impact Factor: 3.73
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Galdiero S, Vitiello M, Amodeo P, D'Isanto M, Cantisani M, Pedone C, Galdiero M
* Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae (779 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Apr 11; 45(14): 4491-4501.
Impact Factor: 3.633
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De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
* Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies (941 views)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.
Impact Factor: 4.1
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D'Andrea LD, Del Gatto A, Pedone C, Benedetti E
* Peptide-based molecules in angiogenesis (1049 views)
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285, 1747-0277linking), 2006 Feb; 67(2): 115-126.
Impact Factor: 2.507
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Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M
* A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants (572 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.
Impact Factor: 3.73
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Pedone E, Saviano M, Bartolucci S, Rossi M, Ausili A, Scire A, Bertoli E, Tanfani F
* Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study (687 views)
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.
Impact Factor: 6.901
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Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (765 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
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Esposito L, Daggett V
* Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations (950 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.
Impact Factor: 3.848
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La Rosa C, Milardi D, Amato E, Pappalardo M, Grasso D
* Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly (768 views)
Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking), 2005 Mar 1; 435(1): 182-189.
Impact Factor: 3.152
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Merlino A, Ceruso MA, Vitagliano L, Mazzarella L
* Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease (794 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.
Impact Factor: 4.507
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Merlino A, Graziano G, Mazzarella L
* Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability (578 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Dec 1; 57(4): 692-701.
Impact Factor: 4.429
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Langella E, Improta R, Barone V
* Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues (706 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.
Impact Factor: 4.585
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Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
* Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression (752 views)
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.
Impact Factor: 4.104
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Arena G, Bonomo RP, Contino A, Sgarlata C, Spoto G, Tabbì G
* Influence of the coordination geometry on the physicochemical properties of a copper(II) complex with a tailor-made calixarene-based ligand bearing dipyridyl pendants. An ESR, UV-Vis and CV study (461 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2004 Oct 21; (20): 3205-3211.
Impact Factor: 2.926
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Vitale RM, Pedone C, De Benedetti PG, Fanelli F
* Structural features of the inactive and active states of the melanin-concentrating hormone receptors: Insights from molecular simulations (739 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.
Impact Factor: 4.429
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Pappalardo M, Milardi D, La Rosa C, Zannoni C, Rizzarelli E, Grasso D
* A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (816 views)
Chem Phys Lett (ISSN: 0009-2614), 2004 Jun 1; 390(4-6): 511-516.
Impact Factor: 2.438
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Leone M, Di Lello P, Ohlenschläger O, Pedone E, Bartolucci S, Rossi M, Di Blasio B, Pedone C, Saviano M, Isernia C, Fattorusso R
* Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability (1291 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004 May 25; 43(20): 6043-6058.
Impact Factor: 4.008
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Dynamic properties of the N-terminal swapped dimer of ribonuclease (538 views)
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Apr; 86(4): 2383-2391.
Impact Factor: 4.585
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Improta R, Barone V
* Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals (425 views)
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.
Impact Factor: 20.233
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Musumeci D, Roviello GN, Sica D
* The oxidation of Δ2, Δ2, 4 and Δ4, 6 steroids with RuO4 (609 views)
Steroids (ISSN: 0039-128x), 2004 Mar; 69(3): 173-179.
Impact Factor: 2.337
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Grasso D, Milardi D, La Rosa C, Rizzarelli E
* The different role of Cu++ and Zn++ ions in affecting the interaction of prion peptide PrP106-126 with model membranes (426 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2004 Jan 21; 10(2): 246-247.
Impact Factor: 3.997
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Improta R, Barone V
* Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions (604 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.
Impact Factor: 3.168
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Ohlenschlager O, Wohnert J, Bucci E, Seitz S, Hafner S, Ramachandran R, Zell R, Gorlach M
* The Structure of the Stemloop D Subdomain of Coxsackievirus B3 Cloverleaf RNA and Its Interaction with the Proteinase 3C (863 views)
Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking), 2004; 12(2): 237-248.
Impact Factor: 5.185
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Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus (782 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Dec 16; 42(49): 14397-14407.
Impact Factor: 3.922
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Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
* Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin (539 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.
Impact Factor: 4.313
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Bashan A, Zarivach R, Schluenzen F, Agmon I, Harms J, Auerbach T, Baram D, Berisio R, Bartels H, Hansen HAS, Fucini P, Wilson D, Peretz M, Kessler M, Yonath A
* Ribosomal crystallography: Peptide bond formation and its inhibition (737 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003 Sep; 70(1): 19-41.
Impact Factor: 2.733
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Pappalardo M, Milardi D, Grasso DM, La Rosa C
* Free energy perturbation and molecular dynamics calculations of copper binding to azurin (568 views)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.
Impact Factor: 3.186
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De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
* The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies (497 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.
Impact Factor: 1.377
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Grasso D, Milardi D, Guantieri V, La Rosa C, Rizzarelli E
* Interaction of prion peptide PrP 180-193 with DPPC model membranes: A thermodynamic study (655 views)
New J Chem (ISSN: 1144-0546), 2003; 27(2): 359-364.
Impact Factor: 2.272
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Menziani MC, De Benedetti PG, Langella E, Barone V
* Seeking for binding determinants of the prion protein to human plasminogen (593 views)
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.
Impact Factor: 1.591
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Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
* Global and local motions in ribonuclease A: A molecular dynamics study (693 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.
Impact Factor: 2.372
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Esposito G, Vitagliano L, Santamaria R, Viola A, Zagari A, Salvatore F
* Structural and functional analysis of aldolase B mutants related to hereditary fructose intolerance (473 views)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2002 Nov 6; 531(2): 152-156.
Impact Factor: 3.912
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Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution (826 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.
Impact Factor: 5.359
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Oliva R, Leone M, Falcigno L, D'Auria G, Dettin M, Scarinci C, Di Bello C, Paolillo L
* Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site (798 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2002 Mar 15; 8(6): 1467-1473.
Impact Factor: 4.238
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Vitagliano L, Merlino A, Zagari A, Mazzarella L
* Reversible substrate-induced domain motions in ribonuclease (661 views)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2002 Jan 1; 46(1): 97-104.
Impact Factor: 4.096
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Romanelli A, Pedone C, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
* Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites (735 views)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.
Impact Factor: 2.849
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Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (1054 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
Impact Factor: 4.326
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De Luca S, Tesauro D, Di Lello P, Fattorusso R, Saviano M, Pedone C, Morelli G
* Synthesis and solution characterization of a porphyrin-CCK8 conjugate (595 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.
Impact Factor: 1.451
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Zanotti G, Falcigno L, Saviano M, D'Auria G, Bruno BM, Campanile T, Paolillo L
* Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue (658 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001; 7(7): 1479-1485.
Impact Factor: 4.614
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Oliva R, Falcigno L, D'Auria G, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide (565 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 27-36.
Impact Factor: 2.405
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Lombardi A, D'Agostino B, Nastri F, D'Andrea LD, Filippelli A, Falciani M, Rossi F, Pavone V
A novel super-potent neurokinin A receptor antagonist containing dehydroalanine (729 views)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894xprint, 0960-894xlinking), 1998 May 19; 8(10): 1153-1156.
Impact Factor: 1.5
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Pavone V, Lombardi A, Saviano M, Nastri F, Zaccaro L, Maglio O, Pedone C, Omote Y, Yamanaka Y, Yamada T
Conformational Behaviour Of C (alpha, Alpha)-Diphenylglycine: Folded Vs. Extended Structures In Dphig-Containing Tripeptides (661 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1998 Feb; 4(1): 21-32.
Impact Factor: 1.311
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Lombardi A, D'Auria G, Maglio O, Nastri F, Quartara L, Pedone C, Pavone V
A novel rigid β-turn molecular scaffold (637 views)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 1998; 120(24): 5879-5886.
Impact Factor: 5.725
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Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives (628 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.
Impact Factor: 2.425
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D'Andrea LD, Mazzeo M, Isernia C, Rossi F, Saviano M, Gallo P, Paolillo L, Pedone C
Solution conformational preferences of a peptidic analogue of a natural macrolide (490 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(3): 349-361.
Impact Factor: 2.425
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Rossi F, Saviano M, Di Talia P, Di Blasio B, Pedone C, Zanotti G, Mosca M, Saviano G, Tancredi T, Ziegler K, Benedetti E
Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes (1264 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996; 40(5): 465-478.
Impact Factor: 2.425
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Pavone V, Lombardi A, Saviano M, Di Blasio B, Nastri F, Fattorusso R, Zaccaro L, Maglio O, Yamada T, Omote Y
Mixed conformation in C(α, α)-disubstituted tripeptides: X-ray crystal structures of Z-Aib-Dph-Gly-OMe and Bz-Dph-Dph-Gly-OMe (561 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Dec; 34(12): 1595-1604.
Impact Factor: 2.425
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Pavone V, Lombardi A, Saviano M, Nastri F, Fattorusso R, Maglio O, Isernia C, Paolillo L, Pedone C
β-alanine containing cyclic peptides with turned structure: The 'pseudo type II β-turn. ' VI (816 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Nov; 34(11): 1517-1526.
Impact Factor: 2.425
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Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE (665 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.
Impact Factor: 2.425
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Zanotti G, Maione A, Rossi F, Saviano M, Pedone C, Tancredi T
BIOACTIVE PEPTIDES - CONFORMATIONAL STUDY OF A CYSTINYL CYCLOHEPTAPEPTIDE IN ITS FREE AND CALCIUM COMPLEXED FORMS (736 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.
Impact Factor: 2.425
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Di Blasio B, Lombardi A, D'Auria G, Saviano M, Isernia C, Maglio O, Paolillo L, Pedone C, Pavone V
Beta-Alanine Containing Peptides: Gamma-Turns In Cyclotetrapeptides (754 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Apr; 31(10): 621-631.
Impact Factor: 2.425
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Saviano M, Rossi F, Pavone V, Di Blasio B, Pedone C
Molecular dynamics simulation in vacuo and in solution of [Aib5, 6-D- Ala8] Cyclolinopeptide A: A conformational and comparative study (671 views)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.
Impact Factor: 1.283
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Gurrieri S, Rizzarelli E, Beach D, Bustamante C
Imaging of kinked configurations of DNA molecules undergoing orthogonal field alternating gel electrophoresis by fluorescence microscopy (753 views)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1990 Apr 3; 29(13): 3396-3401.
Impact Factor: 4.572
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238 Records (232 excluding Abstracts).
Total impact factor: 924.456 (902.373 excluding Abstracts).
Total 5 year impact factor: 931.785 (909.549 excluding Abstracts).
Total impact factor: 924.456 (902.373 excluding Abstracts).
Total 5 year impact factor: 931.785 (909.549 excluding Abstracts).
1056 views. Last view on Saturday 18 January 2025, 2:05:48
ibb.cnr.it
