Role of hydration in collagen triple helix stabilization
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Role of hydration in collagen triple helix stabilization
(
864 views
)
De Simone A,
Vitagliano L
,
Berisio R
Biochem Biophys Res Commun (ISSN: 0006-291x)
,
2008 Jul 18;
372(1): 121-125.
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Paper type:
Journal Article,
Impact factor:
2.648,
5-year impact factor:
2.823
Url:
http://www.scopus.com/inward/record.url?eid=2-s2.0-44649200425&partnerID=40&md5=62d5a54732d051130ed0c891f5eb7ac0
Keywords:
Fibrous Protein, Hydroxyproline, Molecular Dynamics, Solvent And Stability, Water Structure, Amino Acid, Arginine, Collagen, Imino Acid, Amino Acid Sequence, Article, Experimental Study, Hydration, Molecular Interaction, Molecular Stability, Priority Journal, Reproducibility, Simulation, Animals, Crystallography, X-Ray, Molecular Sequence Data, Protein Structure, Secondary, Vertebrata,
Affiliations:
*** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini, C.N.R., via Mezzocannone 16, I-80134 Napoli, Italy
References:
Not available.
Role of hydration in collagen triple helix stabilization
Collagen is the most abundant protein in higher vertebrates. Despite collagen repetitive sequence, several aspects of its structure and stability are controversial. Here we performed molecular dynamics simulations to analyze triple helix hydration in regions characterized by different imino/aminoacid contents. Data emerged from MD simulations show that (a) MD simulations can reliably reproduce the hydration sites identified experimentally, (b) water molecules bound to regions with a different amino/iminoacid content exhibit diversified residence times, and (c) in the aminoacid-rich region the binding of water molecules is strongly influenced by the local sequence of the peptide. MD results also suggest that, in aminoacid-rich regions, the stabilizing effects of Arg and Hyp residues on collagen triple helix also depend on water-mediated interactions. On this basis, we propose that the mechanism of triple helix stabilization is sequence-dependent. © 2008 Elsevier Inc. All rights reserved.
Role of hydration in collagen triple helix stabilization
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Characterization of neurotoxic and neuroprotective factors by using computational methodologies
Vitagliano Luigi
Esposito Luciana
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Molecular dynamics simulation approach to study UV-induced DNA damage
Esposito Luciana
Improta Roberto
Role of hydration in collagen triple helix stabilization
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A Synthetic MUC1 Glycopeptide Bearing betaGalNAc-Thr as a Tn Antigen Isomer Induces the Production of Antibodies against Tumor Cells
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2023 views
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Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking)
,
2017 Mar 16;
18(6): 527-538.
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2.774
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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
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200 views
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J Biomol Struct Dyn (ISSN: 0739-1102linking)
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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
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388 views
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Plos Comput Biol (ISSN: 1553-734xlinking)
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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
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Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs
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852 views
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Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic)
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2017;
23(11): 2619-2627.
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5.16
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Di Matteo A, Franceschini M, Paiardini A, Grottesi A, Chiarella S, Rocchio S, Di Natale C,
Marasco D
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Vitagliano L
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Structural investigation of Nucleophosmin interaction with the tumor suppressor Fbw7γ
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613 views
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Oncogenesis (ISSN: 2157-9024)
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2017;
6(9): N/D-N/D.
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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
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527 views
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J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
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2016 Dec;
N/D: 1-12.
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3.123
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Diaferia C, Sibillano T, Balasco N, Giannini C, Roviello V,
Vitagliano L
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Morelli G
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Accardo A
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Hierarchical Analysis of Self-Assembled PEGylated Hexaphenylalanine Photoluminescent Nanostructures
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653 views
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Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic)
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2016 Nov 7;
22(46): 16586-16597.
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5.317
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Barone D
, Balasco N,
Vitagliano L
*
KCTD5 is endowed with large, functionally relevant, interdomain motions
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655 views
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J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
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2016 Aug;
34(8): 1725-1735.
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Smaldone G, Vigorita M,
Ruggiero A
, Balasco N, Dattelbaum JD, D'Auria S, Del Vecchio P, Graziano G,
Vitagliano L
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Proline 235 plays a key role in the regulation of the oligomeric states of Thermotoga maritima Arginine Binding Protein
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931 views
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Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print)
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2016 Jul;
1864(7): 814-824.
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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
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Long range Trp-Trp interaction initiates the folding pathway of a pro-angiogenic beta-hairpin peptide
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1370 views
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Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking)
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2015 Nov 25;
5: 16651-16651.
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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
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Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding Mode
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500 views
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Plosone (ISSN: 1932-6203linking, 1932-6203electronic)
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2015 Nov 13;
10 (11 ): e0142711-N/D.
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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
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900 views
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J Chem Inf Model (ISSN: 1549-9596linking)
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2015 Jul 27;
55 (7 ): 1377-1387.
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Calce E, Monfregola L, Saviano M,
De Luca S
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HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor
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1169 views
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Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic)
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2015 May 20;
22(21): 2525-2538.
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3.455
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Smaldone G,
Pirone L
, Balasco N,
Di Gaetano S
,
Pedone E
,
Vitagliano L
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Cullin 3 recognition is not a universal property among KCTD proteins
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1481 views
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
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2015 May 14;
10(5): e0126808-e0126808.
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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
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Vitagliano L
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Pedone E
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Zaccaro L
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Cullin3 - BTB interface: A novel target for stapled peptides
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1030 views
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107 views
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
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2015 Apr 7;
10(4): e0121149-e0121149.
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Nikitushkin VD, Demina GR, Shleeva MO, Guryanova SV,
Ruggiero A
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Berisio R
, Kaprelyants AS
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A product of RpfB and RipA joint enzymatic action promotes the resuscitation of dormant mycobacteria
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834 views
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Febs J (ISSN: 1742-464x)
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2015 Apr 3;
282(13): 2500-2511.
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4.237
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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
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737 views
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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
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1017 views
)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
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2015 Feb 16;
91: 109-117.
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3.902
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Balasco N,
Barone D
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Vitagliano L
*
Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations
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802 views
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J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
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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
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Altruda F
, Aberdam D, Brissette JL, Missero C
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A composite enhancer regulates p63 gene expression in epidermal morphogenesis and in keratinocyte differentiation by multiple mechanisms
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1262 views
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Nucleic Acids Res (ISSN: 0305-1048, 1362-4962)
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2015 Jan;
43(2): 862-874.
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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
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823 views
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J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking)
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2015;
119(21): 5426-5438.
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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
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903 views
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Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic)
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2015;
47(8): 1507-1515.
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3.196
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Vincenzi M, Costantini S, Scala S,
Tesauro D
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Accardo A
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Leone M
, Colonna G, Guillon J, Portella L, Trotta AM, Ronga L,
Rossi F
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Conformational ensembles explored dynamically from disordered peptides targeting chemokine receptor CXCR4
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1134 views
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Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking)
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2015;
16(6): 12159-12173.
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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
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Cyclization of the urokinase receptor-derived Ser-Arg-Ser-Arg-Tyr peptide generates a potent inhibitor of trans-endothelial migration of monocytes
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818 views
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
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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
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Fusion of raft-like lipid bilayers operated by a membranotropic domain of the HSV-type I glycoprotein gH occurs through a cholesterol-dependent mechanism
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734 views
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Soft Matter (ISSN: 1744-683x)
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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
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644 views
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Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
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2015;
17(17): 11615-11626.
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4.449
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Milardi D, Pappalardo M
*
Molecular dynamics: New advances in drug discovery
(
700 views
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Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
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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
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1551 views
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Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
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2015;
92: 876-881.
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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
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Towards understanding the molecular recognition process in prokaryotic zinc-finger domain
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1253 views
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Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
,
2015;
91: 100-108.
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Benetti F, Biarnés X, Attanasio F, Giachin G, Rizzarelli E, Legname G
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Structural determinants in prion protein folding and stability
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1550 views
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J Mol Biol (ISSN: 0022-2836, 1089-8638, 0022-2836linking)
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2014 Nov 11;
426(22): 3796-3810.
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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
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Structural Model of the hUbA1-UbcH10 Quaternary Complex: In Silico and Experimental Analysis of the Protein-Protein Interactions between E1, E2 and Ubiquitin
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949 views
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
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2014 Nov 6;
9(11): e112082-e112082.
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3.234
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Mercurio FA
, Scognamiglio PL, Di Natale C,
Marasco D
, Pellecchia M,
Leone M
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Cd And Nmr Conformational Studies Of A Peptide Encompassing The Mid Loop Interface Of Ship2-Sam
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603 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2014 Nov;
101(11): 1088-1098.
Impact Factor:
2.385
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Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A
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Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH(4)R Antagonism
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607 views
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
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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
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Conformational features of human melanin-concentrating hormone: an NMR and computational analysis
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876 views
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Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking)
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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
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Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides
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749 views
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print)
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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
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Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations
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836 views
)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639)
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2014 Jul;
1844(7): 1289-1298.
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4.882
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Tomasello MF, Sinopoli A, Attanasio F, Giuffrida ML, Campagna T, Milardi D, Pappalardo G
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Molecular and cytotoxic properties of hIAPP17-29 and rIAPP17-29 fragments: A comparative study with the respective full-length parent polypeptides
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1697 views
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Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
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2014 Jun 23;
81: 442-455.
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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
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1096 views
)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
,
2014 May 15;
9(5): e96560-e96560.
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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
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834 views
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J Chem Inf Model (ISSN: 1549-9596)
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2014 Apr 28;
54(4): 1200-1207.
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3.738
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Squeglia F
, Bachert B, De Simone A, Lukomski S,
Berisio R
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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
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1176 views
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Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking)
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2014 Feb 21;
289(8): 5122-5133.
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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
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1464 views
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Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
,
2014 Feb 7;
16(5): 1868-1874.
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4.493
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Hayafune M,
Berisio R
, Marchetti R, Silipo A, Kayama M, Desaki Y, Arima S,
Squeglia F
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Ruggiero A
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Molinaro A
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Chitin-induced activation of immune signaling by the rice receptor CEBiP relies on a unique sandwich-type dimerization
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2251 views
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P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print)
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2014 Jan 21;
111(3): E404-E404.
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9.674
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Forte G, Travaglia A, Magrì A, Satriano C, La Mendola D
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Adsorption of NGF and BDNF derived peptides on gold surfaces
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933 views
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Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
,
2014;
16(4): 1536-1544.
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4.493
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Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A,
Morelli G
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Berisio R
, Galdiero M,
Galdiero S
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Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides
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1082 views
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J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print)
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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
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1214 views
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Mol Biosyst (ISSN: 1742-206x, 1742-2206, 1742-2051linking)
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2013 Nov;
9(11): 2835-2841.
Impact Factor:
3.18
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Petruk AA, Varriale S, Coscia MR,
Mazzarella L
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Merlino A
, Oreste U
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The Structure Of The Cd3 Zeta Zeta Transmembrane Dimer In Popc And Raft-Like Lipid Bilayer: A Molecular Dynamics Study
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807 views
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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
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474 views
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Biophys Chem (ISSN: 0301-4622linking)
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2013 Oct;
180-181: 110-118.
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Alcides Petruk A,
Vergara A
, Estrin D,
Merlino A
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Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study
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716 views
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Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic)
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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
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Probing the residual structure in avian prion hexarepeats by CD, NMR and MD techniques
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768 views
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Molecules (ISSN: 1420-3049, 1420-3049electronic, 1420-3049linking)
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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
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793 views
)
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic, 1742-2051linking)
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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
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Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses
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932 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
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2013 Jun 4;
104(11): 2530-2539.
Impact Factor:
3.832
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De Simonea A, Stanzione F,
Marasco D
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Vitagliano L
,
Esposito L
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The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics
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1184 views
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Journal Of Biomolecular Structure & Dynamics
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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
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Carnosine Inhibits Abeta(42) Aggregation By Perturbing The H-Bond Network In And Around The Central Hydrophobic Cluster
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1562 views
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Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic)
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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
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Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis
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897 views
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J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
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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
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Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces
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712 views
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J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking)
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2013 Jan 1;
389(1): 220-229.
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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
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1034 views
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Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
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2013;
15(23): 8940-8951.
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4.198
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Vitiello G, Fragneto G, Petruk AA, Falanga A,
Galdiero S
, D'Ursi A,
Merlino A
, D'Errico G
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Cholesterol modulates the fusogenic activity of a membranotropic domain of the FIV glycoprotein gp36
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858 views
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Soft Matter (ISSN: 1744-683x)
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2013;
9(28): 6442-6456.
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4.151
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Picconi D, Avila Ferrer FJ,
Improta R
, Lami A, Santoro F
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Quantum-classical effective-modes dynamics of the ππ * → nπ* decay in 9H-adenine. A quadratic vibronic coupling model
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564 views
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Faraday Discuss (ISSN: 1359-6640, 1359-6640print, 1359-6640linking)
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2013;
163: 223-242.
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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
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944 views
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Protein Pept Lett (ISSN: 0929-8665, 1875-5305)
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2012 Oct;
19(10): 1045-1053.
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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
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835 views
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Protein Pept Lett (ISSN: 0929-8665, 1875-5305)
,
2012 Sep;
19(8): 846-851.
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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
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784 views
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Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986)
,
2012 May;
521(1-2): 111-116.
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0
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Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M,
Improta R
, Pavone M, Rega N
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Effects of molecular dynamics and solvation on the electronic structure of molecular probes
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864 views
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Theor Chem Acc (ISSN: 1432-881x)
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2012 Apr;
131(4): 1211-1212.
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2.233
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Balsamo A, Sannino F,
Merlino A
, Parrilli E, Tutino ML,
Mazzarella L
,
Vergara A
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Role of the tertiary and quaternary structure in the formation of bis-histidyl adducts in cold-adapted hemoglobins
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795 views
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Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic)
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2012 Apr;
94(4): 953-960.
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3.142
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Sandomenico A
, Russo A, Palmieri G, Bergamo P, Gogliettino M,
Falcigno L
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Ruvo M
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Small peptide inhibitors of acetyl-peptide hydrolase having an uncommon mechanism of inhibition and a stable bent conformation
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949 views
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J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print)
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2012 Mar 8;
55(5): 2102-2111.
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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
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Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study
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773 views
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J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
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2012 Jan 12;
116(1): 401-412.
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3.607
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Cantisani M, Vitiello M, Falanga A, Finamore E, Galdiero M,
Galdiero S
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Peptides complementary to the active loop of porin P2 from Haemophilus influenzae modulate its activity
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795 views
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Int J Nanomed (ISSN: 1178-2013, 1176-9114, 1178-2013electronic)
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2012;
7: 2361-2371.
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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
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524 views
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Soft Matter (ISSN: 1744-683x)
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2012;
8(1): 53-56.
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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
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803 views
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126)
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2011 Dec 14;
133(49): 19664-19667.
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Vitagliano L
,
Berisio R
, De Simone A
*
Role of hydration in collagen recognition by bacterial adhesins
(
1408 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
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2011 May 4;
100(9): 2253-2261.
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Boechi L, Marti MA,
Vergara A
,
Sica F
,
Mazzarella L
, Estrin DA,
Merlino A
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Protonation of Histidine 55 Affects the Oxygen Access to Heme in the Alpha Chain of the Hemoglobin from the Antarctic Fish Trematomus bernacchii
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572 views
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Iubmb Life (ISSN: 1521-6543, 1521-6551)
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2011 Mar;
63(3): 175-182.
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3.514
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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
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840 views
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Eur Biophys J
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2011 Jan;
40(1): 1-12.
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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
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923 views
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Molecular Phylogenetics And Evolution (ISSN: 1055-7903)
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2010 Dec;
57(3): 1238-1244.
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3.889
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D'Auria G
, Esposito C,
Falcigno L
, Calvanese L,
Iaccarino E
,
Ruggiero A
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Pedone C
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Pedone E
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Berisio R
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Dynamical properties of cold shock protein A from Mycobacterium tuberculosis
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730 views
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Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic)
,
2010 Nov 26;
402(4): 693-698.
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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
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973 views
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Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking)
,
2010 Oct 6;
99(7): 2273-2278.
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4.218
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Farina B,
Pirone L
, Russo L, Viparelli F,
Doti N
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Pedone C
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Pedone E
, Fattorusso R
*
NMR backbone dynamics studies of human PED/PEA-15 outline protein functional sites
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1133 views
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Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic)
,
2010 Oct;
277(20): 4229-4240.
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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
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Optical properties of guanine nanowires: Experimental and theoretical study
(
542 views
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J Phys Chem C (ISSN: 1932-7447)
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2010 Sep 2;
114(34): 14339-14346.
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4.524
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Paladino A
, Colonna G, Facchiano AM, Costantini S
Functional hypothesis on miraculin' sweetness by a molecular dynamics approach
(
232 views
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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
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606 views
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J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
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2010 May 27;
114(20): 7002-7008.
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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
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821 views
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Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic)
,
2010 May 10;
16(18): 5400-5407.
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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
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676 views
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New J Chem (ISSN: 1144-0546)
,
2010;
34(2): 200-207.
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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
(
649 views
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Mol Biosyst (ISSN: 1742-206x)
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2010;
6(6): 1032-1039.
Impact Factor:
3.825
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Vitagliano L
, Stanzione F, De Simone A,
Esposito L
*
Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces
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1289 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2009 Dec;
91(12): 1161-1171.
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2.605
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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
(
900 views
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Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic)
,
2009 Jul 13;
10(9-10): 1500-1510.
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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
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1171 views
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J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic)
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2009 May 8;
388(3): 559-569.
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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
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The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics
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1163 views
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Febs Journal (ISSN: 1742-464x)
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2009 Apr;
276(8): 2266-2277.
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3.042
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Vitagliano L
,
Ruggiero A
,
Pedone C
,
Berisio R
*
Molecular dynamics studies of the P pilus rod subunit PapA
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956 views
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J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print)
,
2009 Mar;
15(3): 192-199.
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1.807
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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
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1070 views
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Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic)
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2008 Dec 26;
377(4): 1036-1041.
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2.648
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La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
*
Prion proteins leading to neurodegeneration
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661 views
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Current Alzheimer Research (ISSN: 1567-2050)
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2008 Dec;
5(6): 579-590.
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4.132
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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
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654 views
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Chem Phys Lett (ISSN: 0009-2614)
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2008 Oct 1;
463(4-6): 396-399.
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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
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820 views
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Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263)
,
2008 Oct;
27(3): 401-407.
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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
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1484 views
)
Biophysical Journal (ISSN: 1542-0086, 0006-3495)
,
2008 Sep 15;
95(4): 1965-1973.
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4.683
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Vitagliano L
,
Ruggiero A
,
Pedone C
,
Berisio R
*
Conformational states and association mechanism of Yersinia pestis Caf1 subunits
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814 views
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Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic)
,
2008 Sep 8;
372(4): 804-810.
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D'Ambrosio K
, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A,
De Simone G
, Supuran CT
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Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii
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1285 views
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J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print)
,
2008 Jun 12;
51(11): 3230-3237.
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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
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831 views
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Biophys J (ISSN: 1542-0086, 0006-3495, 0006-3495linking)
,
2008 May 15;
94(10): 4031-4040.
Impact Factor:
4.683
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Improta R
,
Berisio R
,
Vitagliano L
*
Contribution of dipole-dipole interactions to the stability of the collagen triple helix
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773 views
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Protein Sci (ISSN: 0961-8368, 1469-896xelectronic)
,
2008 May;
17(5): 955-961.
Impact Factor:
3.115
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De Simone A,
Pedone C
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Vitagliano L
*
Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF
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710 views
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Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic)
,
2008 Feb 15;
366(3): 800-806.
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2.648
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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
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957 views
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Febs J (ISSN: 1742-464x)
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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?
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800 views
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Minerva Biotecnol (ISSN: 1120-4826)
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2008;
20(4): 183-188.
Impact Factor:
0.1
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Diana D
, Ziaco B, Colombo G, Scarabelli G,
Romanelli A
, Fedone C, Fattorusso R,
D'Andrea LD
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Structural determinants of the unusual helix stability of a de novo engineered vascular endothelial growth factor (VEGF) mimicking peptide
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797 views
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Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic)
,
2008;
14(14): 4164-4166.
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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
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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
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1282 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2008;
89(4): 284-291.
Impact Factor:
2.823
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Salvatore A, Cigliano L, Bucci EM, Corpillo D, Velasco S, Carlucci A,
Pedone C
, Abrescia P
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Haptoglobin binding to apolipoprotein A-I prevents damage from hydroxyl radicals on its stimulatory activity of the enzyme lecithin-cholesterol acyl-transferase
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1007 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
2007 Oct 2;
46(39): 11158-11168.
Impact Factor:
3.368
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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
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An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution
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607 views
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Chem Phys Lett (ISSN: 0009-2614)
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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
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Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA
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540 views
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Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic)
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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
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785 views
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J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic)
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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
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Improta R
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Ruvo M
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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
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881 views
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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
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1252 views
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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
(
622 views
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New J Chem (ISSN: 1144-0546)
,
2007;
31(6): 901-905.
Impact Factor:
2.651
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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
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1597 views
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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
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Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential
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639 views
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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
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1557 views
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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
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Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation
(
713 views
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J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online)
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2006 Jul 28;
125(4): 44512-44544.
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Vogt G, Nuernberger P, Gerber G,
Improta R
, Santoro F, Nuernberger P, Vogt G, Gerber G,
Improta R
, Santoro F
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Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics
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567 views
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J Chem Phys (ISSN: 0021-9606, 0897-690online)
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2006 Jul 28;
125(4): 44512-44512.
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3.166
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Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V,
Improta R
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Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water
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555 views
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J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
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2006 Jul 6;
110(26): 12843-12847.
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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
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1245 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2006 Jul 1;
64(1): 167-177.
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3.73
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Merlino A
,
Esposito L
,
Vitagliano L
*
Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
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1054 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
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2006 Jun 1;
63(4): 918-927.
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3.73
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Galdiero S
, Vitiello M, Amodeo P, D'Isanto M, Cantisani M,
Pedone C
, Galdiero M
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Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae
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871 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
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2006 Apr 11;
45(14): 4491-4501.
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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
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1266 views
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Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic)
,
2006 Feb;
7(2): 377-387.
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4.1
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D'Andrea LD
,
Del Gatto A
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Pedone C
, Benedetti E
*
Peptide-based molecules in angiogenesis
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1273 views
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Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285, 1747-0277linking)
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2006 Feb;
67(2): 115-126.
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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
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619 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2006 Jan 1;
62(1): 262-269.
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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
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835 views
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J Proteome Res (ISSN: 1535-3893)
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2005 Nov;
4(6): 1972-1980.
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6.901
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Merlino A
,
Mazzarella L
, Carannante A,
Di Fiore A
, Di Donato A, Notomista E,
Sica F
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The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants
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984 views
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Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking)
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2005 May 6;
280(18): 17953-17960.
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5.854
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Esposito L
, Daggett V
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Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations
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1196 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
2005 Mar 8;
44(9): 3358-3368.
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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
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851 views
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Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking)
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2005 Mar 1;
435(1): 182-189.
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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
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1012 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
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2005 Mar;
88(3): 2003-2012.
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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
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680 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2004 Dec 1;
57(4): 692-701.
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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
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817 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
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2004 Dec;
87(6): 3623-3632.
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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
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Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression
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836 views
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Curr Drug Targets (ISSN: 1389-4501)
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2004 Nov;
5(8): 735-744.
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4.104
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Arena G, Bonomo RP, Contino A, Sgarlata C, Spoto G, Tabbì G
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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
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524 views
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Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic)
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2004 Oct 21;
(20): 3205-3211.
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2.926
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Berisio R
, Granata V,
Vitagliano L
, Zagari A
*
Imino acids and collagen triple helix stability: Characterization of collagen-like polypeptides containing Hyp-Hyp-Gly sequence repeats
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894 views
)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126)
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2004 Sep 22;
126(37): 11402-11403.
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6.903
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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
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817 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2004 Sep 15;
56(3): 430-448.
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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
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944 views
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Chem Phys Lett (ISSN: 0009-2614)
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2004 Jun 1;
390(4-6): 511-516.
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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
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Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability
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1402 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
2004 May 25;
43(20): 6043-6058.
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4.008
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Berisio R
, Granata V,
Vitagliano L
, Zagari A
*
Characterization of Collagen-Like Heterotrimers: Implications for Triple-Helix Stability
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1518 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2004 Apr 15;
73(6): 682-688.
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2.863
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Merlino A
,
Vitagliano L
, Ceruso MA,
Mazzarella L
*
Dynamic properties of the N-terminal swapped dimer of ribonuclease
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694 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
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2004 Apr;
86(4): 2383-2391.
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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
(
508 views
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Chem Rev (ISSN: 0009-2665)
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2004 Mar;
104(3): 1231-1253.
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20.233
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Musumeci D
, Roviello GN, Sica D
*
The oxidation of Δ2, Δ2, 4 and Δ4, 6 steroids with RuO4
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892 views
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Steroids (ISSN: 0039-128x)
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2004 Mar;
69(3): 173-179.
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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
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582 views
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Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic)
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2004 Jan 21;
10(2): 246-247.
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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
(
708 views
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J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic)
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2004;
25(11): 1333-1341.
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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
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990 views
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Structure (ISSN: 0969-2126, 1878-4186, 0969-2126linking)
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2004;
12(2): 237-248.
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5.185
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Esposito L
, Bruno I,
Sica F
, Raia CA, Giordano A, Rossi M,
Mazzarella L
, Zagari A
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Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
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1070 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
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2003 Dec 16;
42(49): 14397-14407.
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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
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654 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
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2003 Oct 1;
53(1): 101-110.
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4.313
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Bashan A, Zarivach R, Schluenzen F, Agmon I, Harms J, Auerbach T, Baram D,
Berisio R
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Ribosomal crystallography: Peptide bond formation and its inhibition
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847 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2003 Sep;
70(1): 19-41.
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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
(
690 views
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J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic)
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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
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Morelli G
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The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies
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662 views
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J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print)
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2003 Mar;
9(3): 156-169.
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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
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734 views
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New J Chem (ISSN: 1144-0546)
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2003;
27(2): 359-364.
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2.272
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Menziani MC, De Benedetti PG,
Langella E
, Barone V
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Seeking for binding determinants of the prion protein to human plasminogen
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671 views
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Mol Phys (ISSN: 0026-8976)
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2003;
101(17): 2763-2773.
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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
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848 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2002 Nov 15;
65(4): 274-283.
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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
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569 views
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Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic)
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2002 Nov 6;
531(2): 152-156.
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3.912
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Esposito L
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Sica F
, Raia CA, Giordano A, Rossi M,
Mazzarella L
, Zagari A
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Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution
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955 views
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J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic)
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2002 Apr 26;
318(2): 463-477.
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5.359
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Oliva R,
Leone M
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Falcigno L
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D'Auria G
, Dettin M, Scarinci C, Di Bello C, Paolillo L
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Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site
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893 views
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Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic)
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2002 Mar 15;
8(6): 1467-1473.
Impact Factor:
4.238
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Berisio R
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Vitagliano L
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Mazzarella L
, Zagari A
*
Crystal structure of the collagen triple helix model [(Pro-Pro-Gly)10]3
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1217 views
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Protein Sci (ISSN: 0961-8368, 1469-896xelectronic)
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2002 Feb;
11(2): 262-270.
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3.546
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Benzi C,
Improta R
, Scalmani G, Barone V
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Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution
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658 views
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J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic)
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2002 Feb;
23(3): 341-350.
Impact Factor:
2.931
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Vitagliano L
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Merlino A
, Zagari A,
Mazzarella L
*
Reversible substrate-induced domain motions in ribonuclease
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766 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
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2002 Jan 1;
46(1): 97-104.
Impact Factor:
4.096
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Romanelli A
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Pedone C
, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
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Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites
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969 views
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Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking)
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2001 Dec;
268(23): 6066-6075.
Impact Factor:
2.849
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Vitagliano L
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Berisio R
, Mastrangelo A,
Mazzarella L
, Zagari A
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Preferred proline puckerings in cis and trans peptide groups: Implications for collagen stability
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1829 views
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Protein Sci (ISSN: 0961-8368, 1469-896xelectronic)
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2001 Dec;
10(12): 2627-2632.
Impact Factor:
3.472
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Menchise V
, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
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Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism
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1355 views
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Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking)
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2001 Oct 1;
359(1): 65-75.
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4.326
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De Luca S
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Tesauro D
, Di Lello P, Fattorusso R, Saviano M,
Pedone C
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Morelli G
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Synthesis and solution characterization of a porphyrin-CCK8 conjugate
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675 views
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J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print)
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2001 Jul;
7(7): 386-394.
Impact Factor:
1.451
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Vitagliano L
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Berisio R
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Mazzarella L
, Zagari A
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Structural bases of collagen stabilization induced by proline hydroxylation
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1296 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2001 Apr 15;
58(5): 459-464.
Impact Factor:
1.845
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Zanotti G,
Falcigno L
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D'Auria G
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Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue
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888 views
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Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic)
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2001;
7(7): 1479-1485.
Impact Factor:
4.614
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Oliva R,
Falcigno L
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D'Auria G
, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide
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673 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2000;
56(1): 27-36.
Impact Factor:
2.405
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Berisio R
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Vitagliano L
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Mazzarella L
, Zagari A
Crystal Structure Of A Collagen-Like Polypeptide With Repeating Sequence Pro-Hyp-Gly At 1. 4 Ang Resolution: Implications For Collagen Hydration
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944 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2000;
56(1): 8-13.
Impact Factor:
2.405
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Kramer RZ,
Vitagliano L
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Berisio R
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Mazzarella L
, Brodsky B, Zagari A, Berman HM
X-ray crystallographic determination of a collagen-like peptide with the repeating sequence (Pro-Pro-Gly)
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1102 views
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J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic)
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1998 Jul 24;
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Lombardi A, D'Agostino B, Nastri F,
D'Andrea LD
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Rossi F
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A novel super-potent neurokinin A receptor antagonist containing dehydroalanine
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Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894xprint, 0960-894xlinking)
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Pavone V, Lombardi A, Saviano M, Nastri F,
Zaccaro L
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Maglio O
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Pedone C
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Conformational Behaviour Of C (alpha, Alpha)-Diphenylglycine: Folded Vs. Extended Structures In Dphig-Containing Tripeptides
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J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print)
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1998 Feb;
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Lombardi A,
D'Auria G
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Maglio O
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Pedone C
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A novel rigid β-turn molecular scaffold
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745 views
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126)
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1998;
120(24): 5879-5886.
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5.725
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Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R,
Zaccaro L
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Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives
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2.425
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D'Andrea LD
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Rossi F
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Pedone C
Solution conformational preferences of a peptidic analogue of a natural macrolide
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695 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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1997;
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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
(
1381 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
(
631 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
(
910 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
(
752 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
(
860 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
(
865 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
(
776 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
(
1476 views
)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
1990 Apr 3;
29(13): 3396-3401.
Impact Factor:
4.572
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Pavone V,
Rossi F
, Pucci P, Andini S, Ferrara L, Di Blasio B,
Pedone C
Studies on gliadin related peptides. I. Synthesis, purification and 1H n. m. r. characterization of the pentapeptide H-Tyr-(Gln)3-Pro-OH
(
1276 views
)
Int J Pept Protein Res (ISSN: 0367-8377, 0367-8377print)
,
1983 Oct;
22(4): 482-488.
Impact Factor:
1.255
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220
Records (
215
excluding Abstracts).
Total impact factor:
815.44
(
793.357
excluding Abstracts).
Total 5 year impact factor:
824.196
(
801.96
excluding Abstracts).
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