Role of hydration in collagen triple helix stabilization
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Role of hydration in collagen triple helix stabilization
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388 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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Calce E, Monfregola L, Saviano M,
De Luca S
*
HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor
(
597 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
*
Cullin 3 recognition is not a universal property among KCTD proteins
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620 views
)
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
, Malgieri G,
Vitagliano L
,
Pedone E
,
Zaccaro L
*
Cullin3 - BTB interface: A novel target for stapled peptides
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591 views
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47 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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3.057
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Nikitushkin VD, Demina GR, Shleeva MO, Guryanova SV,
Ruggiero A
,
Berisio R
, Kaprelyants AS
*
A product of RpfB and RipA joint enzymatic action promotes the resuscitation of dormant mycobacteria
(
519 views
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Febs J (ISSN: 1742-464x)
,
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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423 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2015 Mar;
103(3): 158-166.
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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
(
508 views
)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
,
2015 Feb 16;
91: 109-117.
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3.902
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Balasco N,
Barone D
,
Vitagliano L
*
Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations
(
487 views
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J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
,
2015 Jan 12;
33(10): 2173-2179.
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2.3
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Antonini D, Sirico A, Aberdam E, Ambrosio R, Campanile C,
Fagoonee S
,
Altruda F
, Aberdam D, Brissette JL, Missero C
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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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904 views
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Nucleic Acids Res (ISSN: 0305-1048, 1362-4962)
,
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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490 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
(
643 views
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Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic)
,
2015;
47(8): 1507-1515.
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3.196
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Vincenzi M, Costantini S, Scala S,
Tesauro D
,
Accardo A
,
Leone M
, Colonna G, Guillon J, Portella L, Trotta AM, Ronga L,
Rossi F
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Conformational ensembles explored dynamically from disordered peptides targeting chemokine receptor CXCR4
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608 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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445 views
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
,
2015;
10(5): N/D-N/D.
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3.057
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Vitiello G, Falanga A, Petruk AA,
Merlino A
, Fragneto G, Paduano L,
Galdiero S
, D'Errico G
*
Fusion of raft-like lipid bilayers operated by a membranotropic domain of the HSV-type I glycoprotein gH occurs through a cholesterol-dependent mechanism
(
381 views
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Soft Matter (ISSN: 1744-683x)
,
2015;
11(15): 3003-3016.
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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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386 views
)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
,
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
(
437 views
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Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
,
2015;
91: 1-3.
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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
(
977 views
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Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
,
2015;
92: 876-881.
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Russo L, Palmieri M, Caso JV, Abrosca GD,
Diana D
, Malgieri G, Baglivo I, Isernia C, Pedone PV, Fattorusso R
*
Towards understanding the molecular recognition process in prokaryotic zinc-finger domain
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519 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
*
Structural determinants in prion protein folding and stability
(
1104 views
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J Mol Biol (ISSN: 0022-2836, 1089-8638, 0022-2836linking)
,
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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468 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
*
Cd And Nmr Conformational Studies Of A Peptide Encompassing The Mid Loop Interface Of Ship2-Sam
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353 views
)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2014 Nov;
101(11): 1088-1098.
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2.385
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Pappalardo M, Shachaf N, Basile L, Milardi D, Zeidan M, Raiyn J, Guccione S, Rayan A
*
Sequential Application of Ligand and Structure Based Modeling Approaches to Index Chemicals for Their hH(4)R Antagonism
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422 views
)
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
,
2014 Oct 16;
9(10): e109340-e109340.
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3.234
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Vitale RM,
Zaccaro L
, Di Blasio B, Fattorusso R, Isernia C, Amodeo P,
Pedone C
, Saviano M
*
Conformational features of human melanin-concentrating hormone: an NMR and computational analysis
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485 views
)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking)
,
2014 Sep 17;
4(1): 73-81.
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3.088
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Esposito L
, Banyasz A, Douki T, Perron M, Markovitsi D,
Improta R
*
Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides
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399 views
)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print)
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2014 Sep 6;
136(31): 10838-10841.
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12.113
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Balasco N,
Pirone L
, Smaldone G,
Di Gaetano S
,
Esposito L
,
Pedone E
,
Vitagliano L
*
Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations
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393 views
)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639)
,
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
*
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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1302 views
)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
,
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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452 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
(
379 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
*
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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479 views
)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking)
,
2014 Feb 21;
289(8): 5122-5133.
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4.573
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Hayafune M,
Berisio R
, Marchetti R, Silipo A, Kayama M, Desaki Y, Arima S,
Squeglia F
,
Ruggiero A
, Tokuyasu K,
Molinaro A
, Kaku H, Shibuya N
*
Chitin-induced activation of immune signaling by the rice receptor CEBiP relies on a unique sandwich-type dimerization
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880 views
)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print)
,
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
*
Adsorption of NGF and BDNF derived peptides on gold surfaces
(
547 views
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Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
,
2014;
16(4): 1536-1544.
Impact Factor:
4.493
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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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788 views
)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
,
2014;
16(5): 1868-1874.
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4.493
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Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A,
Morelli G
,
Berisio R
, Galdiero M,
Galdiero S
*
Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides
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758 views
)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print)
,
2013 Nov 14;
56(21): 8366-8376.
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5.48
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Petruk AA, Varriale S, Coscia MR,
Mazzarella L
,
Merlino A
, Oreste U
*
The Structure Of The Cd3 Zeta Zeta Transmembrane Dimer In Popc And Raft-Like Lipid Bilayer: A Molecular Dynamics Study
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525 views
)
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002e, 0005-2736print)
,
2013 Nov;
1828(11): 2637-2645.
Impact Factor:
3.498
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Alcides Petruk A,
Vergara A
, Estrin D,
Merlino A
*
Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study
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487 views
)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic)
,
2013 Sep 2;
587(15): 2393-2398.
Impact Factor:
3.341
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Russo L, Raiola L, Campitiello MA, Magrì A, Fattorusso R, Malgieri G, Pappalardo G, La Mendola D, Isernia C
*
Probing the residual structure in avian prion hexarepeats by CD, NMR and MD techniques
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549 views
)
Molecules (ISSN: 1420-3049, 1420-3049electronic, 1420-3049linking)
,
2013 Sep;
18(9): 11467-11484.
Impact Factor:
2.095
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Autiero I
, Saviano M,
Langella E
*
In silico investigation and targeting of amyloid beta oligomers of different size
(
531 views
)
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic)
,
2013 Aug;
9(8): 2118-2124.
Impact Factor:
3.18
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Squeglia F
,
Romano M
,
Ruggiero A
,
Vitagliano L
, De Simone A,
Berisio R
*
Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses
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581 views
)
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
,
Vitagliano L
,
Esposito L
*
The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics
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734 views
)
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
*
Carnosine Inhibits Abeta(42) Aggregation By Perturbing The H-Bond Network In And Around The Central Hydrophobic Cluster
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883 views
)
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic)
,
2013 Mar 18;
14(5): 583-592.
Impact Factor:
3.06
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Ruggiero A
, Marchant J,
Squeglia F
, Makarov V, De Simone A,
Berisio R
*
Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis
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529 views
)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
,
2013 Feb 1;
31(2): 195-205.
Impact Factor:
2.983
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Causa F, Della Moglie R, Iaccino E, Mimmi S,
Marasco D
, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
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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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442 views
)
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking)
,
2013 Jan 1;
389(1): 220-229.
Impact Factor:
1.646
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Pannuzzo M, Milardi D, Raudino A, Karttunen M, La Rosa C
*
Analytical model and multiscale simulations of Aβ peptide aggregation in lipid membranes: Towards a unifying description of conformational transitions, oligomerization and membrane damage
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780 views
)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
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2013;
15(23): 8940-8951.
Impact Factor:
4.198
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Vitiello G, Fragneto G, Petruk AA, Falanga A,
Galdiero S
, D'Ursi A,
Merlino A
, D'Errico G
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Cholesterol modulates the fusogenic activity of a membranotropic domain of the FIV glycoprotein gp36
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656 views
)
Soft Matter (ISSN: 1744-683x)
,
2013;
9(28): 6442-6456.
Impact Factor:
4.151
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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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839 views
)
Molecular Biosystems (ISSN: 1742-206x, 1742-2206)
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2013;
9(11): 2835-2841.
Impact Factor:
3.18
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Picconi D, Avila Ferrer FJ,
Improta R
, Lami A, Santoro F
*
Quantum-classical effective-modes dynamics of the ππ * → nπ* decay in 9H-adenine. A quadratic vibronic coupling model
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326 views
)
Faraday Discuss (ISSN: 1359-6640, 1359-6640print, 1359-6640linking)
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2013;
163: 223-242.
Impact Factor:
4.194
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Berisio R
, Ciccarelli L,
Squeglia F
, De Simone A,
Vitagliano L
*
Structural and Dynamic properties of incomplete immunoglobulin-like fold domains
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496 views
)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305)
,
2012 Oct;
19(10): 1045-1053.
Impact Factor:
1.994
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Stanzione F, De Simone A, Esposito L,
Vitagliano L
*
Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide
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475 views
)
Protein Pept Lett (ISSN: 0929-8665, 1875-5305)
,
2012 Sep;
19(8): 846-851.
Impact Factor:
1.994
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Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
*
Interactions of two O-phosphorylresveratrol derivatives with model membranes
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377 views
)
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986)
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2012 May;
521(1-2): 111-116.
Impact Factor:
0
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Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M,
Improta R
, Pavone M, Rega N
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Effects of molecular dynamics and solvation on the electronic structure of molecular probes
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425 views
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Theor Chem Acc (ISSN: 1432-881x)
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2012 Apr;
131(4): 1211-1212.
Impact Factor:
2.233
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Balsamo A, Sannino F,
Merlino A
, Parrilli E, Tutino ML,
Mazzarella L
,
Vergara A
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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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508 views
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Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic)
,
2012 Apr;
94(4): 953-960.
Impact Factor:
3.142
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Sandomenico A
, Russo A, Palmieri G, Bergamo P, Gogliettino M,
Falcigno L
,
Ruvo M
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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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547 views
)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print)
,
2012 Mar 8;
55(5): 2102-2111.
Impact Factor:
5.614
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Merlino A
, Vitiello G, Grimaldi M,
Sica F
, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
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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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543 views
)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
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2012 Jan 12;
116(1): 401-412.
Impact Factor:
3.607
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Cantisani M, Vitiello M, Falanga A, Finamore E, Galdiero M,
Galdiero S
*
Peptides complementary to the active loop of porin P2 from Haemophilus influenzae modulate its activity
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533 views
)
Int J Nanomed (ISSN: 1178-2013, 1176-9114, 1178-2013electronic)
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2012;
7: 2361-2371.
Impact Factor:
3.463
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Satriano C, Fragalà ME, Forte G, Santoro AM, La Mendola D, Kasemo B
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Surface adsorption of fibronectin-derived peptide fragments: The influence of electrostatics and hydrophobicity for endothelial cells adhesion
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307 views
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Soft Matter (ISSN: 1744-683x)
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2012;
8(1): 53-56.
Impact Factor:
3.909
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Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M,
Improta R
*
Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution
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375 views
)
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
(
712 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
,
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
*
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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376 views
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Iubmb Life (ISSN: 1521-6543, 1521-6551)
,
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
(
460 views
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Eur Biophys J
,
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
(
545 views
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Molecular Phylogenetics And Evolution (ISSN: 1055-7903)
,
2010 Dec;
57(3): 1238-1244.
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D'Auria G
, Esposito C,
Falcigno L
, Calvanese L,
Iaccarino E
,
Ruggiero A
,
Pedone C
,
Pedone E
,
Berisio R
*
Dynamical properties of cold shock protein A from Mycobacterium tuberculosis
(
391 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
(
523 views
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Biophysical Journal (ISSN: 1542-0086, 0006-3495)
,
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
,
Pedone C
,
Pedone E
, Fattorusso R
*
NMR backbone dynamics studies of human PED/PEA-15 outline protein functional sites
(
739 views
)
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
*
Optical properties of guanine nanowires: Experimental and theoretical study
(
280 views
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J Phys Chem C (ISSN: 1932-7447)
,
2010 Sep 2;
114(34): 14339-14346.
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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
(
328 views
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J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
,
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
(
517 views
)
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic)
,
2010 May 10;
16(18): 5400-5407.
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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
(
407 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
(
390 views
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Mol Biosyst (ISSN: 1742-206x)
,
2010;
6(6): 1032-1039.
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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
(
767 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
(
478 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
(
474 views
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J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic)
,
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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772 views
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Febs Journal (ISSN: 1742-464x)
,
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
(
582 views
)
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
(
650 views
)
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic)
,
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
(
475 views
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Current Alzheimer Research (ISSN: 1567-2050)
,
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
(
449 views
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Chem Phys Lett (ISSN: 0009-2614)
,
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
(
420 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
(
635 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
(
330 views
)
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic)
,
2008 Sep 8;
372(4): 804-810.
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2.648
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D'Ambrosio K
, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A,
De Simone G
, Supuran CT
*
Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii
(
857 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
(
436 views
)
Biophysical Journal (ISSN: 1542-0086, 0006-3495)
,
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
(
447 views
)
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
,
Vitagliano L
*
Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF
(
509 views
)
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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456 views
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Febs J (ISSN: 1742-464x)
,
2008;
275(17): 4389-4402.
Impact Factor:
3.139
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Marchelli R, Saviano M, Licandro E, Spoto G, Borgatti M, Gambari R
*
PNAs targeting the "RNA world": Micro RNA next?
(
434 views
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Minerva Biotecnol (ISSN: 1120-4826)
,
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
*
Structural determinants of the unusual helix stability of a de novo engineered vascular endothelial growth factor (VEGF) mimicking peptide
(
484 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
*
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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705 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2008;
89(4): 284-291.
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2.823
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Salvatore A, Cigliano L, Bucci EM, Corpillo D, Velasco S, Carlucci A,
Pedone C
, Abrescia P
*
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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517 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
2007 Oct 2;
46(39): 11158-11168.
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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
*
An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution
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290 views
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Chem Phys Lett (ISSN: 0009-2614)
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2007 Jul 6;
442(1-3): 110-118.
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2.207
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Vitale RM,
Pedone C
, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT,
De Simone G
*
Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA
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340 views
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Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic)
,
2007 Jun 15;
15(12): 4152-4158.
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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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513 views
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J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic)
,
2007 Apr 6;
367(4): 935-941.
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4.472
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Ronga L,
Langella E
, Palladino P,
Marasco D
, Tizzano B, Saviano M,
Pedone C
,
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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650 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2007 Feb 15;
66(3): 707-715.
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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
(
617 views
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P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print)
,
2007;
104(24): 9931-9936.
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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
(
338 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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866 views
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126)
,
2006 Dec 20;
128(50): 16312-16322.
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7.696
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Di Gaetano S
, Guglielmi F, Arciello A, Mangione P, Monti M, Pagnozzi D, Raimondi S, Giorgetti S, Orru S, Canale C, Pucci P, Dobson CM, Bellotti V, Piccoli R
*
Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential
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371 views
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Biochemical And Biophysical Research Communications (ISSN: 0006-291x, 0006-291xprint)
,
2006 Dec 8;
351(1): 223-228.
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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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805 views
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P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print)
,
2006 Sep 1;
103(31): 11533-11538.
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9.643
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Nuernberger P, Vogt G, Gerber G,
Improta R
, Santoro F
*
Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation
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353 views
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J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online)
,
2006 Jul 28;
125(4): 44512-44544.
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3.247
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Vogt G, Nuernberger P, Gerber G,
Improta R
, Santoro F, Nuernberger P, Vogt G, Gerber G,
Improta R
, Santoro F
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Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics
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340 views
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J Chem Phys (ISSN: 0021-9606, 0897-690online)
,
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
*
Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water
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318 views
)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
,
2006 Jul 6;
110(26): 12843-12847.
Impact Factor:
4.115
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Langella E
,
Improta R
, Crescenzi O, Barone V
*
Assessing the acid-base and conformational properties of histidine residues in human prion protein (125-228) by means of pKα calculations and molecular dynamics simulations
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699 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2006 Jul 1;
64(1): 167-177.
Impact Factor:
3.73
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Merlino A
,
Esposito L
,
Vitagliano L
*
Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
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542 views
)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2006 Jun 1;
63(4): 918-927.
Impact Factor:
3.73
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Galdiero S
, Vitiello M, Amodeo P, D'Isanto M, Cantisani M,
Pedone C
, Galdiero M
*
Structural requirements for proinflammatory activity of porin P2 loop 7 from Haemophilus influenzae
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594 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
2006 Apr 11;
45(14): 4491-4501.
Impact Factor:
3.633
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De Capua A, Goodman M, Amino Y, Saviano M, Benedetti E
*
Conformation analysis of aspartame-based sweeteners by NMR spectroscopy, molecular dynamics simulations, and X-ray diffraction studies
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680 views
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Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic)
,
2006 Feb;
7(2): 377-387.
Impact Factor:
4.1
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D'Andrea LD
,
Del Gatto A
,
Pedone C
, Benedetti E
*
Peptide-based molecules in angiogenesis
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880 views
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Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285, 1747-0277linking)
,
2006 Feb;
67(2): 115-126.
Impact Factor:
2.507
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Barone V, De Rienzo F,
Langella E
, Menziani MC, Rega N, Sola M
*
A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants
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301 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2006 Jan 1;
62(1): 262-269.
Impact Factor:
3.73
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Pedone E
, Saviano M, Bartolucci S, Rossi M, Ausili A, Scire A, Bertoli E, Tanfani F
*
Temperature-, SDS-, and pH-induced conformational changes in protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus: A dynamic simulation and fourier transform infrared spectroscopic study
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377 views
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J Proteome Res (ISSN: 1535-3893)
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2005 Nov;
4(6): 1972-1980.
Impact Factor:
6.901
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Merlino A
,
Mazzarella L
, Carannante A,
Di Fiore A
, Di Donato A, Notomista E,
Sica F
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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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447 views
)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking)
,
2005 May 6;
280(18): 17953-17960.
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5.854
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Esposito L
, Daggett V
*
Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations
(
454 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
2005 Mar 8;
44(9): 3358-3368.
Impact Factor:
3.848
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La Rosa C, Milardi D, Amato E, Pappalardo M, Grasso D
*
Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly
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540 views
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Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking)
,
2005 Mar 1;
435(1): 182-189.
Impact Factor:
3.152
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Merlino A
, Ceruso MA,
Vitagliano L
,
Mazzarella L
*
Open interface and large quaternary structure movements in 3D domain swapped proteins: Insights from molecular dynamics simulations of the C-terminal swapped dimer of ribonuclease
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610 views
)
Biophysical Journal (ISSN: 0006-3495, 1542-0086)
,
2005 Mar;
88(3): 2003-2012.
Impact Factor:
4.507
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Merlino A
, Graziano G,
Mazzarella L
*
Structural And Dynamic Effects Of Alpha-Helix Deletion In Sso7d: Implications For Protein Thermal Stability
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445 views
)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2004 Dec 1;
57(4): 692-701.
Impact Factor:
4.429
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Langella E
,
Improta R
, Barone V
*
Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: Effect of protonation of histidine residues
(
436 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
,
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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557 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
*
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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330 views
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Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic)
,
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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473 views
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126)
,
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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564 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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307 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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816 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
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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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683 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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379 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
(
299 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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389 views
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Steroids (ISSN: 0039-128x)
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2004 Mar;
69(3): 173-179.
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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
(
298 views
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Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic)
,
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
(
410 views
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J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic)
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2004;
25(11): 1333-1341.
Impact Factor:
3.168
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Ohlenschlager O, Wohnert J, Bucci E, Seitz S, Hafner S, Ramachandran R, Zell R, Gorlach M
*
The Structure of the Stemloop D Subdomain of Coxsackievirus B3 Cloverleaf RNA and Its Interaction with the Proteinase 3C
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641 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
*
Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
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627 views
)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
2003 Dec 16;
42(49): 14397-14407.
Impact Factor:
3.922
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Merlino A
,
Vitagliano L
, Ceruso MA,
Mazzarella L
*
Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin
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411 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
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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609 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
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
(
384 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
,
Morelli G
*
The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies
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353 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.
Impact Factor:
1.377
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Grasso D, Milardi D, Guantieri V, La Rosa C, Rizzarelli E
*
Interaction of prion peptide PrP 180-193 with DPPC model membranes: A thermodynamic study
(
464 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
*
Seeking for binding determinants of the prion protein to human plasminogen
(
413 views
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Mol Phys (ISSN: 0026-8976)
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2003;
101(17): 2763-2773.
Impact Factor:
1.591
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Merlino A
,
Vitagliano L
, Ceruso M, Di Nola A,
Mazzarella L
*
Global and local motions in ribonuclease A: A molecular dynamics study
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420 views
)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2002 Nov 15;
65(4): 274-283.
Impact Factor:
2.372
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Esposito G,
Vitagliano L
, Santamaria R, Viola A, Zagari A, Salvatore F
*
Structural and functional analysis of aldolase B mutants related to hereditary fructose intolerance
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319 views
)
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic)
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2002 Nov 6;
531(2): 152-156.
Impact Factor:
3.912
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Esposito L
,
Sica F
, Raia CA, Giordano A, Rossi M,
Mazzarella L
, Zagari A
*
Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution
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498 views
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J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic)
,
2002 Apr 26;
318(2): 463-477.
Impact Factor:
5.359
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Oliva R,
Leone M
,
Falcigno L
,
D'Auria G
, Dettin M, Scarinci C, Di Bello C, Paolillo L
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Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site
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512 views
)
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
,
Vitagliano L
,
Mazzarella L
, Zagari A
*
Crystal structure of the collagen triple helix model [(Pro-Pro-Gly)10]3
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696 views
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Protein Sci (ISSN: 0961-8368, 1469-896xelectronic)
,
2002 Feb;
11(2): 262-270.
Impact Factor:
3.546
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Benzi C,
Improta R
, Scalmani G, Barone V
*
Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution
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304 views
)
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
,
Merlino A
, Zagari A,
Mazzarella L
*
Reversible substrate-induced domain motions in ribonuclease
(
401 views
)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2002 Jan 1;
46(1): 97-104.
Impact Factor:
4.096
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Romanelli A
,
Pedone C
, Saviano M, Bianchi N, Borgatti M, Mischiati C, Gambari R
*
Molecular interactions between nuclear factor κB (NF-κB) transcription factors and a PNA-DNA chimera mimicking NF-κB binding sites
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485 views
)
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
,
Berisio R
, Mastrangelo A,
Mazzarella L
, Zagari A
*
Preferred proline puckerings in cis and trans peptide groups: Implications for collagen stability
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818 views
)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic)
,
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
*
Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism
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465 views
)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking)
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2001 Oct 1;
359(1): 65-75.
Impact Factor:
4.326
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De Luca S
,
Tesauro D
, Di Lello P, Fattorusso R, Saviano M,
Pedone C
,
Morelli G
*
Synthesis and solution characterization of a porphyrin-CCK8 conjugate
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451 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
,
Berisio R
,
Mazzarella L
, Zagari A
*
Structural bases of collagen stabilization induced by proline hydroxylation
(
750 views
)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2001 Apr 15;
58(5): 459-464.
Impact Factor:
1.845
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Zanotti G,
Falcigno L
, Saviano M,
D'Auria G
, Bruno BM, Campanile T, Paolillo L
*
Solid state and solution conformation of [Ala7]-phalloidin: A synthetic phallotoxin analogue
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511 views
)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic)
,
2001;
7(7): 1479-1485.
Impact Factor:
4.614
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Oliva R,
Falcigno L
,
D'Auria G
, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide
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393 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2000;
56(1): 27-36.
Impact Factor:
2.405
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Berisio R
,
Vitagliano L
,
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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465 views
)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
2000;
56(1): 8-13.
Impact Factor:
2.405
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Kramer RZ,
Vitagliano L
, Bella J,
Berisio R
,
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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479 views
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J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic)
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1998 Jul 24;
280(4): 623-638.
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Lombardi A, D'Agostino B, Nastri F,
D'Andrea LD
, Filippelli A, Falciani M,
Rossi F
, Pavone V
A novel super-potent neurokinin A receptor antagonist containing dehydroalanine
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495 views
)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894xprint, 0960-894xlinking)
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1998 May 19;
8(10): 1153-1156.
Impact Factor:
1.5
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Pavone V, Lombardi A, Saviano M, Nastri F,
Zaccaro L
,
Maglio O
,
Pedone C
, Omote Y, Yamanaka Y, Yamada T
Conformational Behaviour Of C (alpha, Alpha)-Diphenylglycine: Folded Vs. Extended Structures In Dphig-Containing Tripeptides
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459 views
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J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print)
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1998 Feb;
4(1): 21-32.
Impact Factor:
1.311
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Lombardi A,
D'Auria G
,
Maglio O
, Nastri F, Quartara L,
Pedone C
, Pavone V
A novel rigid β-turn molecular scaffold
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472 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.
Impact Factor:
5.725
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Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R,
Zaccaro L
, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives
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424 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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1997;
42(1): 1-6.
Impact Factor:
2.425
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D'Andrea LD
, Mazzeo M, Isernia C,
Rossi F
, Saviano M, Gallo P, Paolillo L,
Pedone C
Solution conformational preferences of a peptidic analogue of a natural macrolide
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382 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
1997;
42(3): 349-361.
Impact Factor:
2.425
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Rossi F
, Saviano M, Di Talia P, Di Blasio B,
Pedone C
, Zanotti G, Mosca M, Saviano G, Tancredi T, Ziegler K, Benedetti E
Solution and solid state structure of an aib-containing cyclodecapeptide inhibiting the cholate uptake in hepatocytes
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456 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
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405 views
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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
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464 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
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458 views
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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
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581 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
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561 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
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444 views
)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
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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
(
538 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
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1025 views
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Int J Pept Protein Res (ISSN: 0367-8377, 0367-8377print)
,
1983 Oct;
22(4): 482-488.
Impact Factor:
1.255
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205
Records (
200
excluding Abstracts).
Total impact factor:
803.927
(
781.844
excluding Abstracts).
Total 5 year impact factor:
824.624
(
802.388
excluding Abstracts).
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