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Mri Brain Study Simulation
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Comerci M
,
Larobina M
,
Prinster A
, Ciscognetti N,
Quarantelli M
,
Brunetti A
,
Salvatore M
,
Alfano B
Ismrm Esmrmb Joint Annual Meeting 2010
,
2007 May 19;
Abstract: N/D-N/D.
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Mri Brain Study Simulation
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Mri Brain Study Simulation
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Molecular dynamics simulation approach to study UV-induced DNA damage
Esposito Luciana
Improta Roberto
Mri Brain Study Simulation
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Greco F, Falanga AP, Terracciano M, D , #xambrosio C, Piccialli G, Oliviero G,
Roviello GN
, Borbone N
*
CD, UV, and In Silico Insights on the Effect of 1, 3-Bis(1'-uracilyl)-2-propanone on Serum Albumin Structure
(
12 views
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Biomolecules (ISSN: 2218-273xlinking)
,
2022 Aug 3;
12(8): 1071-1088.
Impact Factor:
6.064
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Greco F,
Musumeci D
, Borbone N, Falanga AP, D , #xerrico S, Terracciano M, Piccialli I,
Roviello GN
, Oliviero G
*
Exploring the Parallel G-Quadruplex Nucleic Acid World: A Spectroscopic and Computational Investigation on the Binding of the c-myc Oncogene NHE III1 Region by the Phytochemical Polydatin
(
56 views
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Molecules (ISSN: 1420-3049linking, 1420-3049electronic)
,
2022 May 7;
27(9): 2997-3006.
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4.412
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Scognamiglio PL,
Vicidomini C
, Fontanella F, De Stefano C,
Palumbo R
,
Roviello GN
*
Protein Binding of Benzofuran Derivatives: A CD Spectroscopic and In Silico Comparative Study of the Effects of 4-Nitrophenyl Functionalized Benzofurans and Benzodifurans on BSA Protein Structure
(
62 views
)
Biomolecules (ISSN: 2218-273xlinking)
,
2022 Feb;
12(2): 262-273.
Impact Factor:
6.064
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Roviello V, Scognamiglio PL, Caruso U,
Vicidomini C
,
Roviello GN
*
Evaluating In Silico the Potential Health and Environmental Benefits of Houseplant Volatile Organic Compounds for an Emerging 'Indoor Forest Bathing' Approach
(
43 views
)
Int J Environ Res Public Health (ISSN: 1660-4601linking)
,
2022 Jan 16;
19(1): 273-273.
Impact Factor:
3.39
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Musumeci D
, Ullah S, Ikram A,
Roviello GN
*
Novel insights on nucleopeptide binding: a spectroscopic and in silico investigation on the interaction of a thymine-bearing tetrapeptide with a homoadenine DNA
(
56 views
)
Journal Of Molecular Liquids
,
2021 Dec;
117975: 14140-14148.
Impact Factor:
6.165
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Diaferia C, Rosa E, Balasco N, Sibillano T,
Morelli G
, Giannini C,
Vitagliano L
,
Accardo A
*
The introduction of a cysteine residue modulates the mechanical properties of aromatic-based solid aggregates and self-supporting hydrogels
(
35 views
)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic)
,
2021 Oct 25;
27(60): 14886-14898.
Impact Factor:
5.236
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Platella C, Gaglione R, Napolitano E, Arciello A, Pirota V, Doria F,
Musumeci D
, Montesarchio D
*
DNA Binding Mode Analysis of a Core-Extended Naphthalene Diimide as a Conformation-Sensitive Fluorescent Probe of G-Quadruplex Structures
(
12 views
)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic)
,
2021 Sep 30;
22 (19 ): N/D-N/D.
Impact Factor:
2.598
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Gadda G, Cocozza S, Gambaccini M, Taibi A,
Tedeschi E
, Zamboni P,
Palma G
*
NO-HYPE: a novel hydrodynamic phantom for the evaluation of MRI flow measurements
(
56 views
)
Med Biol Eng Comput (ISSN: 0140-0118linking)
,
2021 Sep;
59(9): 1889-1899.
Impact Factor:
2.602
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Mancuso F,
Di Fiore A
,
De Luca L
, Angeli A,
De Simone G
, Supuran CT, Gitto R
*
Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII
(
33 views
)
Bioorg Med Chem (ISSN: 0968-0896linking, 1464-3391)
,
2021 Aug 15;
44: 116279-116279.
Impact Factor:
3.641
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Asha H, Green JA, Martinez-fernandez L,
Esposito L
,
Improta R
*
Electronic Circular Dichroism Spectra of DNA Quadruple Helices Studied by Molecular Dynamics Simulations and Excitonic Calculations including Charge Transfer States
(
52 views
)
Molecules (ISSN: 1420-3049linking, 1420-3049electronic)
,
2021 Aug 7;
26(16): N/D-N/D.
Impact Factor:
4.411
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Perrella F, Coppola F, Petrone A, Platella C, Montesarchio D, Stringaro A, Ravagnan G, Fuggetta MP, Rega N,
Musumeci D
*
Interference of Polydatin/Resveratrol in the ACE2: Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical Assays
(
24 views
)
Biomolecules (ISSN: 2218-273xlinking)
,
2021 Jul 16;
11(7): N/D-N/D.
Impact Factor:
4.57
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Roviello V,
Musumeci D
, Mokhir A,
Roviello GN
*
Evidence of Protein Binding by a Nucleopeptide Based on a Thyminedecorated L-Diaminopropanoic Acid through CD and In Silico Studies
(
41 views
)
(PDF
14 views
)
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic)
,
2021 Jul;
28(24): 5004-5015.
Impact Factor:
4.53
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Troisi R, Balasco N, Santamaria A,
Vitagliano L
,
Sica F
*
Structural and functional analysis of the simultaneous binding of two duplex/quadruplex aptamers to human α-thrombin
(
34 views
)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic)
,
2021 Jun 30;
181: 858-867.
Impact Factor:
5.162
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Di Gaetano S
, Capasso D, Delre P,
Pirone L
, Saviano M,
Pedone E
, Mangiatordi GF
*
More Is Always Better Than One: The N-Terminal Domain of the Spike Protein as Another Emerging Target for Hampering the SARS-CoV-2 Attachment to Host Cells
(
71 views
)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic)
,
2021 Jun 16;
22 (12 ): N/D-N/D.
Impact Factor:
2.598
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Mulliri S, Laaksonen A, Spanu P, Farris R, Farci M, Mingoia F,
Roviello GN
, Mocci F
*
Spectroscopic and In Silico Studies on the Interaction of Substituted Pyrazolo[1, 2-a]benzo[1, 2, 3, 4]tetrazine-3-one Derivatives with c-Myc G4-DNA
(
70 views
)
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic, 1661-6596)
,
2021 Jun 2;
22(11): 6028-6028.
Impact Factor:
5.923
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Farina B, Andrea C,
Del Gatto A
, Comegna D,
Di Gaetano S
, Capasso D,
Paladino A
, Acconcia C, Teresa Gentile M, Saviano M, Fattorusso R,
Zaccaro L
, Russo L
*
A novel approach for studying receptor-ligand interactions on living cells surface by using NUS/T1ρ-NMR methodologies combined with computational techniques: The RGDechi15D-α(v)β(5) integrin complex
(
62 views
)
Comput Struct Biotechnol J (ISSN: 2001-0370linking)
,
2021 May 29;
19: 3303-3318.
Impact Factor:
7.271
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Moreira M,
Ruggiero A
,
Iaccarino E
, Barra G,
Sandomenico A
,
Ruvo M
,
Berisio R
*
A structure-based approach for the development of a bicyclic peptide acting as a miniaturized anti-CD55 antibody
(
45 views
)
(PDF
8 views
)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic)
,
2021 May 17;
182: 1455-1462.
Impact Factor:
6.95
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Platella C, Napolitano E, Riccardi C,
Musumeci D
, Montesarchio D
*
Disentangling the Structure-Activity Relationships of Naphthalene Diimides as Anticancer G-Quadruplex-Targeting Drugs
(
12 views
)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804)
,
2021 Apr 8;
64(7): 3578-3603.
Impact Factor:
7.446
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Troisi R, Balasco N,
Vitagliano L
,
Sica F
*
Molecular dynamics simulations of human α-thrombin in different structural contexts: evidence for an aptamer-guided cooperation between the two exosites
(
75 views
)
J Biomol Struct Dyn (ISSN: 0739-1102linking, 1538-0254electronic)
,
2021 Apr;
39(6): 2199-2209.
Impact Factor:
4.986
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Villano D, Romdhane F, Irrera P, Consolino L, Anemone A, Zaiss M,
Dastrù W
,
Longo DL
*
A fast multislice sequence for 3D MRI-CEST pH imaging
(
91 views
)
Magn Reson Med (ISSN: 0740-3194linking, 1522-2594electronic)
,
2021 Mar;
85(3): 1335-1349.
Impact Factor:
3.635
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Marasco D
,
Vicidomini C
, Krupa P, Cioffi F, Pham DQH, Li MS, Florio D, Broersen K, De Pandis MF,
Roviello GN
*
Plant isoquinoline alkaloids as potential neurodrugs: A comparative study of the effects of benzo[c]phenanthridine and berberine based compounds on β-amyloid aggregation
(
150 views
)
Chem Biol Interact (ISSN: 0009-2797linking)
,
2021 Jan 25;
334: 109300-109301.
Impact Factor:
5.192
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Monti A, Sturlese M, Caporale A, Roger JA, Mascanzoni F,
Ruvo M
,
Doti N
*
Design, synthesis, structural analysis and biochemical studies of stapled AIF(370-394) analogues as ligand of CypA
(
92 views
)
Bba-Gen Subjects (ISSN: 0304-4165linking, 0005-2728, 0006-3002print)
,
2020 Dec;
1864(12): 129717-129717.
Impact Factor:
3.422
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Montanari R, Capelli D, Yamamoto K, Awaishima H, Nishikata K, Barendregt A, Heck AJR, Loiodice F, Altieri F, Paiardini A, Grottesi A,
Pirone L
,
Pedone E
, Peiretti F, Brunel JM, Itoh T, Pochetti G
*
Insights into PPARγ Phosphorylation and Its Inhibition Mechanism
(
175 views
)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804)
,
2020 May 14;
63(9): 4811-4823.
Impact Factor:
6.205
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Pelliccia S, Amato J, Capasso D,
Di Gaetano S
, Massarotti A, Piccolo M, Irace C, Tron GC, Pagano B, Randazzo A, Novellino E, Giustiniano M
*
Bio-Inspired Dual-Selective BCL-2/c-MYC G-Quadruplex Binders: Design, Synthesis, and Anticancer Activity of Drug-like Imidazo[2, 1-i]purine Derivatives
(
103 views
)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804)
,
2020 Mar 12;
63(5): 2035-2050.
Impact Factor:
6.205
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La Rosa C, Condorelli M, Compagnini G, Lolicato F, Milardi D, Do TN, Karttunen M, Pannuzzo M, Ramamoorthy A, Fraternali F, Collu F, Rezaei H, Strodel B, Raudino A
*
Symmetry-breaking transitions in the early steps of protein self-assembly
(
83 views
)
Eur Biophys J (ISSN: 0175-7571linking, 1432-1017)
,
2020 Mar;
49(2): 175-191.
Impact Factor:
2.094
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Palma G
,
Monti S
,
Cella L
*
Voxel-based analysis in radiation oncology: A methodological cookbook
(
70 views
)
Phys Med (ISSN: 1120-1797linking)
,
2020 Jan;
69: 192-204.
Impact Factor:
2.485
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Iaccarino E
,
Sandomenico A
, Corvino G, Foca G, Severino V, Russo R, Caporale A, Raimondo D, D'Abramo M, Alba J, Chambery A,
Ruvo M
*
Investigating the oxidative refolding mechanism of Cripto-1 CFC domain
(
324 views
)
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic)
,
2019 Sep 15;
137: 1179-1189.
Impact Factor:
4.784
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Zaiss M, Anemone A, Goerke S,
Longo DL
, Herz K, Pohmann R,
Aime S
, Rivlin M, Navon G, Golay X, Scheffler K
*
Quantification of hydroxyl exchange of D-Glucose at physiological conditions for optimization of glucoCEST MRI at 3, 7 and 9. 4 Tesla
(
142 views
)
Nmr Biomed (ISSN: 0952-3480linking, 1099-1492electronic)
,
2019 Sep;
32(9): e4113-e4113.
Impact Factor:
2.983
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Balasco N, Smaldone G,
Vitagliano L
*
The Structural Versatility of the BTB Domains of KCTD Proteins and Their Recognition of the GABA(B) Receptor
(
82 views
)
Biomolecules (ISSN: 2218-273xlinking)
,
2019 Jul 31;
9 (8 ): N/D-N/D.
Impact Factor:
2.095
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Kujawa A, Kim M, Demetriou E, Anemone A, Livio Longo D, Zaiss M, Golay X
*
Assessment of a clinically feasible Bayesian fitting algorithm using a simplified description of Chemical Exchange Saturation Transfer (CEST) imaging
(
35 views
)
J Magn Reson (ISSN: 1090-7807linking)
,
2019 Mar;
300: 120-134.
Impact Factor:
2.586
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Mercurio FA
, Di Natale C,
Pirone L
,
Marasco D
, Calce E, Vincenzi M, Pedone EM,
De Luca S
,
Leone M
*
Design and analysis of EphA2-SAM peptide ligands: A multi-disciplinary screening approach
(
234 views
)
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic)
,
2019 Mar;
84: 434-443.
Impact Factor:
3.929
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Scollo F, Tempra C, Lolicato F, Sciacca MFM, Raudino A, Milardi D, La Rosa C
*
Phospholipids Critical Micellar Concentrations Trigger Different Mechanisms of Intrinsically Disordered Proteins Interaction with Model Membranes
(
518 views
)
(PDF
117 views
)
J Phys Chem Lett (ISSN: 1948-7185electronic, 1948-7185linking)
,
2018 Sep 6;
9(17): 5125-5129.
Impact Factor:
6.687
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Langella E
,
Buonanno M
, Vullo D, Dathan N,
Leone M
, Supuran C,
De Simone G
,
Monti SM
*
Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX
(
321 views
)
Cell Mol Life Sci (ISSN: 1420-682xlinking)
,
2018 Sep;
75(17): 3283-3296.
Impact Factor:
6.721
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Balasco N,
Barone D
,
Iaccarino E
,
Sandomenico A
, De Simone A,
Ruvo M
,
Vitagliano L
*
Intrinsic structural versatility of the highly conserved 412-423 epitope of the Hepatitis C Virus E2 protein
(
275 views
)
Int J Biol Macromol (ISSN: 1879-0003electronic, 0141-8130linking)
,
2018 Sep;
116: 620-632.
Impact Factor:
1.427
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Sbardella D, Tundo GR, Coletta A, Marcoux J, Koufogeorgou EI, Ciaccio C, Santoro AM, Milardi D, Grasso G, Cozza P, Bousquet-dubouch MP, Marini S, Coletta M
*
The insulin-degrading enzyme is an allosteric modulator of the 20S proteasome and a potential competitor of the 19S
(
279 views
)
(PDF
110 views
)
Cell Mol Life Sci (ISSN: 1420-9071electronic, 1420-682xlinking)
,
2018 Sep;
75(18): 3441-3456.
Impact Factor:
7.047
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Diaferia C, Balasco N, Sibillano T, Giannini C,
Vitagliano L
,
Morelli G
,
Accardo A
*
Structural Characterization of Self-Assembled Tetra-Tryptophan Based Nanostructures: Variations on a Common Theme
(
83 views
)
Chemphyschem (ISSN: 1439-4235linking, 1439-7641)
,
2018 Jul 5;
19 (13 ): 1635-1642.
Impact Factor:
3.502
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Martinez-fernandez L,
Improta R
*
Sequence dependence on DNA photochemistry: a computational study of photodimerization pathways in TpdC and dCpT dinucleotides
(
307 views
)
Photochemical & (ISSN: 1474-9092electronic, 1474-905xlinking)
,
2018 May 16;
17(5): 586-591.
Impact Factor:
2.939
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Diaferia C, Balasco N, Sibillano T, Ghosh M, Adler-abramovich L, Giannini C,
Vitagliano L
,
Morelli G
,
Accardo A
*
Amyloid-Like Fibrillary Morphology Originated by Tyrosine-Containing Aromatic Hexapeptides
(
86 views
)
Chemistry (ISSN: 0947-6539linking, 1521-3765electronic)
,
2018 May 7;
24 (26 ): 6804-6817.
Impact Factor:
5.476
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Buonanno M
,
Di Fiore A
,
Langella E
, D’ambrosio K, Supuran CT,
Monti SM
,
De Simone G
*
The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior
(
313 views
)
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic)
,
2018 May;
19(6): 19-24.
Impact Factor:
3.687
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Autiero I
,
Ruvo M
,
Improta R
,
Vitagliano L
*
The intrinsic flexibility of the aptamer targeting the ribosomal protein S8 is a key factor for the molecular recognition
(
241 views
)
Bba-Gen Subjects (ISSN: 0304-4165print, 0304-4165linking, 1872-8006electronic)
,
2018 Apr;
1862(4): 1006-1016.
Impact Factor:
3.829
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Pietropaolo A, Magri A, Greco V, Losasso V, La Mendola D, Sciuto S, Carloni P, Rizzarelli E
*
Binding of Zn(II) to Tropomyosin Receptor Kinase A in Complex with Its Cognate Nerve Growth Factor: Insights from Molecular Simulation and in Vitro Essays
(
233 views
)
Acs Chem Neurosci (ISSN: 1948-7193electronic, 1948-7193linking)
,
2018 Jan 12;
N/D: N/D-N/D.
Impact Factor:
4.348
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Comegna D,
Zannetti A
,
Del Gatto A
, De Paola I, Russo L,
Di Gaetano S
, Liguoro A, Capasso D, Saviano M,
Zaccaro L
*
Chemical Modification for Proteolytic Stabilization of the Selective alphavbeta3 Integrin RGDechi Peptide: in Vitro and in Vivo Activities on Malignant Melanoma Cells
(
938 views
)
(PDF
209 views
)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print)
,
2017 Dec 14;
60(23): 9874-9884.
Impact Factor:
6.253
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Squeglia F
,
Romano M
,
Ruggiero A
,
Berisio R
*
Molecular players in Tuberculosis drug development: another break in the cell wall
(
328 views
)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic)
,
2017 Nov 24;
24(36): 3954-3969.
Impact Factor:
3.469
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Mercurio FA
, Costantini S, Di Natale C,
Pirone L
, Guariniello S, Scognamiglio PL,
Marasco D
, Pedone EM,
Leone M
*
Structural investigation of a C-terminal EphA2 receptor mutant: Does mutation affect the structure and interaction properties of the Sam domain?
(
351 views
)
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639linking)
,
2017 Jun 06;
1865(9): 1095-1104.
Impact Factor:
4.28
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Brunò E, Buemi MR,
Di Fiore A
, De LucaL, Ferro S, Angeli A, Cirilli R, Sadutto D,
Alterio V
,
Monti SM
, Supuran CT,
De Simone G
, Gitto R
*
Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides
(
391 views
)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print)
,
2017 May 25;
60(10): 4316-4326.
Impact Factor:
6.253
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Ruggiero A
,
Squeglia F
,
Romano M
,
Vitagliano L
, De Simone A,
Berisio R
*
Structure and dynamics of the multi-domain resuscitation promoting factor RpfB from Mycobacterium tuberculosis
(
364 views
)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
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2017 May;
35(6): 1322-1330.
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3.107
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Leiria Campo V, Riul TB, Oliveira Bortot L, Martins-teixeira MB, Fiori Marchiori M,
Iaccarino E
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Ruvo M
, Dias-baruffi M, Carvalho I
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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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1344 views
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Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking)
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2017 Mar 16;
18(6): 527-538.
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2.774
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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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375 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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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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323 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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4.932
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Calvanese L,
D'Auria G
, Vangone A,
Falcigno L
, Oliva R
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Analysis of the interface variability in NMR structure ensembles of protein-protein complexes
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373 views
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J Struct Biol (ISSN: 1047-8477, 1047-8477linking)
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2016 Jun;
194(3): 317-324.
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2.767
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Mercurio M, Cappelletti P, De Gennaro B, De Gennaro M, Bovera F, Iannaccone F, Grifa C, Langella A, Monetti V, Esposito L
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The effect of digestive activity of pig gastro-intestinal tract on zeolite-rich rocks: An in vitro study
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288 views
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Micropor Mesopor Mat (ISSN: 1387-1811)
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2016;
225: 133-136.
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3.615
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Diana D
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De Rosa L
, Palmieri M, Russomanno A, Russo L, La Rosa C, Milardi D, Colombo G,
D'Andrea LD
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Long range Trp-Trp interaction initiates the folding pathway of a pro-angiogenic beta-hairpin peptide
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438 views
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Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking)
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2015 Nov 25;
5: 16651-16651.
Impact Factor:
5.228
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Karlsson J, Morgillo CM, Deplano A, Smaldone G,
Pedone E
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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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102 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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Smaldone G,
Pirone L
, Balasco N,
Di Gaetano S
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Pedone E
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Vitagliano L
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Cullin 3 recognition is not a universal property among KCTD proteins
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620 views
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
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2015 May 14;
10(5): e0126808-e0126808.
Impact Factor:
3.057
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Calvanese L,
Falcigno L
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D'Auria G
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Essential Dynamics Analysis Captures the Concerted Motion of the Integrin-Binding Site in Jerdostatin, an RTS Disintegrin
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424 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2015 Mar;
103(3): 158-166.
Impact Factor:
2.248
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Autiero I
, Saviano M,
Langella E
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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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508 views
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Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
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2015 Feb 16;
91: 109-117.
Impact Factor:
3.902
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Balasco N,
Barone D
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Vitagliano L
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Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations
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487 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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D'Ambrosio K
, Carradori S,
Monti SM
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Buonanno M
, Secci D, Vullo D, Supuran CT,
De Simone G
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Out of the active site binding pocket for carbonic anhydrase inhibitors
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488 views
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241 views
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Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic)
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2015 Jan 7;
51(2): 302-305.
Impact Factor:
6.567
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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,
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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.
Impact Factor:
3.257
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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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382 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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Lolicato F, Raudino A, Milardi D, La Rosa C
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Resveratrol interferes with the aggregation of membrane-bound human-IAPP: A molecular dynamics study
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977 views
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Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking)
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2015;
92: 876-881.
Impact Factor:
3.902
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Russo L, Palmieri M, Caso JV, Abrosca GD,
Diana D
, Malgieri G, Baglivo I, Isernia C, Pedone PV, Fattorusso R
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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)
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2015;
91: 100-108.
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3.902
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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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1104 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.
Impact Factor:
4.333
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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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353 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2014 Nov;
101(11): 1088-1098.
Impact Factor:
2.385
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Monti S
,
Palma G
, Ragucci M, Mannelli L,
Mancini M
,
Prinster A
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Optimization of tagged MRI for quantification of liver stiffness using computer simulated data
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537 views
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192 views
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
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2014 Oct 31;
9(10): e111852-e111852.
Impact Factor:
3.234
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Pedicini P, Fiorentino A, Simeon V, Tini P, Chiumento C, Pirtoli L,
Salvatore M
,
Storto G
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Clinical radiobiology of glioblastoma multiforme: estimation of tumor control probability from various radiotherapy fractionation schemes
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396 views
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Strahlenther Onkol (ISSN: 0179-7158, 0179-7158linking)
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2014 Oct;
190(10): 925-932.
Impact Factor:
2.914
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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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393 views
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Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639)
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2014 Jul;
1844(7): 1289-1298.
Impact Factor:
4.882
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Ruggiero A
, Dattelbaum JD, Staiano M,
Berisio R
, D'Auria S,
Vitagliano L
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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
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Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking)
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2014 May 15;
9(5): e96560-e96560.
Impact Factor:
3.234
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Basile L, Pappalardo M, Guccione S, Milardi D, Ramsay RR
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Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases
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379 views
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J Chem Inf Model (ISSN: 1549-9596)
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2014 Apr 28;
54(4): 1200-1207.
Impact Factor:
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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479 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.
Impact Factor:
4.573
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D'Ambrosio K
, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G,
Monti SM
, Winum JY,
De Simone G
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Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis
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464 views
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Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking)
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2014 Feb;
97(1): 114-120.
Impact Factor:
2.963
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Fratini A, Bifulco P, Romano M, Clemente F, Cesarelli M
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Simulation of surface EMG for the analysis of muscle activity during whole body vibratory stimulation
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702 views
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Comput Meth Prog Bio (ISSN: 0169-2607)
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2014 Jan;
113(1): 314-322.
Impact Factor:
1.897
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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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547 views
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Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
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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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789 views
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Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
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2014;
16(5): 1868-1874.
Impact Factor:
4.493
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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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525 views
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Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002e, 0005-2736print)
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2013 Nov;
1828(11): 2637-2645.
Impact Factor:
3.498
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Cella L
,
Liuzzi R
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Conson M
, D'Avino V,
Salvatore M
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Pacelli R
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Multivariate normal tissue complication probability modeling of heart valve dysfunction in Hodgkin lymphoma survivors
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446 views
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Int J Radiat Oncol (ISSN: 0360-3016, 1879-355x, 1879-355xelectronic)
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2013 Oct 1;
87(2): 304-310.
Impact Factor:
4.176
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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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487 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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Galdiero S
, Falanga A, Cantisani M, Vitiello M,
Morelli G
, Galdiero M
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Peptide-Lipid Interactions: Experiments and Applications
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1232 views
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Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic)
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2013 Sep;
14(9): 18758-18789.
Impact Factor:
2.339
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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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557 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
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In silico investigation and targeting of amyloid beta oligomers of different size
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532 views
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Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic)
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2013 Aug;
9(8): 2118-2124.
Impact Factor:
3.18
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Squeglia F
,
Romano M
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Ruggiero A
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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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582 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
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Esposito L
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The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics
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734 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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Cammisa M, Correra A, Andreotti G,
Cubellis MV
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Identification and analysis of conserved pockets on protein surfaces
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1341 views
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Bmc Bioinformatics (ISSN: 1471-2105)
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2013 Apr 22;
14: S9-S9.
Impact Factor:
2.672
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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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884 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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531 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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Mercurio FA
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Marasco D
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Pirone L
, Scognamiglio PL,
Pedone E
, Pellecchia M,
Leone M
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Heterotypic Sam-Sam Association Between Odin-Sam1 And Arap3-Sam: Binding Affinity And Structural Insights
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411 views
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Chembiochem (ISSN: 1439-4227, 1439-9422, 1439-7633)
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2013 Jan 2;
14(1): 100-106.
Impact Factor:
2.92
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Pannuzzo M, Milardi D, Raudino A, Karttunen M, La Rosa C
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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
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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
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Soft Matter (ISSN: 1744-683x)
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2013;
9(28): 6442-6456.
Impact Factor:
4.151
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Bellia F, Pietropaolo A, Grasso G
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Formation of insulin fragments by insulin-degrading enzyme: The role of zinc(II) and cystine bridges
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483 views
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J Mass Spectrom (ISSN: 1076-5174, 1096-9888)
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2013;
48(2): 135-140.
Impact Factor:
2.709
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Autiero I
,
Langella E
, Saviano M
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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
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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
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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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326 views
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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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Grasso G, Salomone F, Tundo GR, Pappalardo G, Ciaccio C, Spoto G, Pietropaolo A, Coletta M, Rizzarelli E
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Metal ions affect insulin-degrading enzyme activity
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547 views
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J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print)
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2012 Dec;
117: 351-358.
Impact Factor:
3.197
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Stanzione F, De Simone A, Esposito L,
Vitagliano L
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Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide
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475 views
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Protein Pept Lett (ISSN: 0929-8665, 1875-5305)
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2012 Sep;
19(8): 846-851.
Impact Factor:
1.994
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Pedicini P, Caivano R, Jereczek-Fossa BA, Strigari L, Vischioni B, Alterio D, Cremonesi M, Botta F, Nappi A, Improta G,
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Modelling the correlation between EGFr expression and tumour cell radiosensitivity, and combined treatments of radiation and monoclonal antibody EGFr inhibitors
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395 views
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Theor Biol Med Model (ISSN: 1742-4682)
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2012 Jun 19;
9(1): 23-23.
Impact Factor:
1.461
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Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
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Interactions of two O-phosphorylresveratrol derivatives with model membranes
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377 views
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Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986)
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2012 May;
521(1-2): 111-116.
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0
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Balsamo A, Sannino F,
Merlino A
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Mazzarella L
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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)
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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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547 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.
Impact Factor:
5.614
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Merlino A
, Vitiello G, Grimaldi M,
Sica F
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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
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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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Alfano B
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Comerci M
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Larobina M
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An MRI digital brain phantom for validation of segmentation methods
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Med Image Anal (ISSN: 1361-8415, 1361-8423, 1361-8415linking)
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2011 Jun;
15(3): 329-339.
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4.424
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Vitagliano L
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Berisio R
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Role of hydration in collagen recognition by bacterial adhesins
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712 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
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2011 May 4;
100(9): 2253-2261.
Impact Factor:
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Tabbì G, Di Mauro G, Purrello R, Bonomo RP
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Electrochemical characterization of ordered arrays of metallo-porphyrins in aqueous solution
(
380 views
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Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic)
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2011 Apr 28;
40(16): 4223-4229.
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Troise F, Monti M,
Merlino A
, Cozzolino F, Fedele C,
Russo Krauss I
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Sica F
, Pucci P, D'Alessio G, De Lorenzo C
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A novel ErbB2 epitope targeted by human antitumor immunoagents
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408 views
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Febs Journal (ISSN: 1742-464x)
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2011 Apr;
278(7): 1156-1166.
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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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376 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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Grasso G, Pietropaolo A, Spoto G, Pappalardo G, Tundo GR, Ciaccio C, Coletta M, Rizzarelli E
*
Copper(I) and Copper(II) Inhibit A beta Peptides Proteolysis by Insulin-Degrading Enzyme Differently: Implications for Metallostasis Alteration in Alzheimer's Disease
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584 views
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Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic)
,
2011 Feb 25;
17(9): 2752-2762.
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5.925
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Milardi D, Sciacca MFM, Pappalardo M, Grasso DM, La Rosa C
*
The Role Of Aromatic Side-Chains In Amyloid Growth And Membrane Interaction Of The Islet Amyloid Polypeptide Fragment Lanflvh
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460 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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545 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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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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391 views
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Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic)
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2010 Nov 26;
402(4): 693-698.
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Stanzione F,
Esposito L
,
Paladino A
,
Pedone C
,
Morelli G
,
Vitagliano L
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Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors
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523 views
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Biophysical Journal (ISSN: 1542-0086, 0006-3495)
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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
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NMR backbone dynamics studies of human PED/PEA-15 outline protein functional sites
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739 views
)
Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic)
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2010 Oct;
277(20): 4229-4240.
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3.129
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Langella E
, Pierre S, Ghattas W, Giorgi M, Réglier M, Saviano M,
Esposito L
, Hardré R
*
Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors
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430 views
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Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic)
,
2010 Sep 3;
5(9): 1568-1576.
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3.306
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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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328 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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517 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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Pensato S, Renda M, Leccia F, Saviano M,
D'Andrea LD
,
Pedone C
, Pedone PV,
Romanelli A
*
PNA zipper as a dimerization tool: development of a bZip mimic
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602 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2010 May;
93(5): 434-441.
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2.572
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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
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390 views
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Mol Biosyst (ISSN: 1742-206x)
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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
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768 views
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Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
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2009 Dec;
91(12): 1161-1171.
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2.605
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Improta R
, Barone V, Lami A, Santoro F
*
Quantum dynamics of the ultrafast ππ*/nπ* population transfer in uracil and 5-fluoro-uracil in water and acetonitrile
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289 views
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J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
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2009 Oct 29;
113(43): 14491-14503.
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3.471
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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
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478 views
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Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic)
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2009 Jul 13;
10(9-10): 1500-1510.
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Di Fiore A
, Fiorentino G, Vitale RM, Ronca R, Amodeo P,
Pedone C
, Bartolucci S,
De Simone G
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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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475 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
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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)
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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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585 views
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J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print)
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2009 Mar;
15(3): 192-199.
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1.807
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Cella L
, Ciscognetti N, Martin G,
Liuzzi R
,
Punzo G
,
Solla R
, Farella A,
Salvatore M
,
Pacelli R
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Preoperative Radiation Treatment for Rectal Cancer: Comparison of Target Coverage and Small Bowel NTCP in Conventional vs. 3D-Conformal Planning
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563 views
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Med Dosim (ISSN: 0958-3947, 1873-4022)
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2009 Mar;
34(1): 75-81.
Impact Factor:
1.256
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Francalanci F, Avolio M, De Luca E,
Longo DL
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Menchise V
, Guazzi P, Sgro F, Marino M, Goitre L, Balzac F, Trabalzini L, Retta SF
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Structural and functional differences between KRIT1A and KRIT1B isoforms: A framework for understanding CCM pathogenesis
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611 views
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Exp Cell Res (ISSN: 0014-4827)
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2009 Jan 15;
315(2): 285-303.
Impact Factor:
3.589
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Improta R
, Ferrante C, Bozio R, Barone V
*
The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: A PCM/TD-DFT study
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401 views
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Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic)
,
2009;
11(22): 4664-4673.
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4.116
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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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449 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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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
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704 views
)
Biophysical Journal (ISSN: 1542-0086, 0006-3495)
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2008 Sep 15;
95(4): 1965-1973.
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4.683
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Dalla Serra M, Cirioni O, Vitale RM, Renzone G, Coraiola M, Giacometti A, Potrich C, Baroni E, Guella G, Sanseverino M,
De Luca S
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Structural features of distinctin affecting peptide biological and biochemical properties
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696 views
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Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
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2008 Jul 29;
47(30): 7888-7899.
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3.379
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De Simone A,
Vitagliano L
,
Berisio R
*
Role of hydration in collagen triple helix stabilization
(
388 views
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Biochem Biophys Res Commun (ISSN: 0006-291x)
,
2008 Jul 18;
372(1): 121-125.
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2.648
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Santoro F, Lami A,
Improta R
, Bloino J, Barone V
*
Effective method for the computation of optical spectra of large molecules at finite temperature including the Duschinsky and Herzberg-Teller effect: The Qx band of porphyrin as a case study
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476 views
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J Chem Phys (ISSN: 0021-9606, 0897-690online)
,
2008 Jun 14;
128(22): 17-17.
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3.149
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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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457 views
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Biophysical Journal (ISSN: 1542-0086, 0006-3495)
,
2008 May 15;
94(10): 4031-4040.
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4.683
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Pietropaolo A, Muccioli L, Zannoni C, La Mendola D, Maccarrone G, Pappalardo G, Rizzarelli E
*
Unveiling the role of histidine and tyrosine residues on the conformation of the avian prion hexarepeat domain
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344 views
)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
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2008 Apr 24;
112(16): 5182-5188.
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4.189
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De Simone A,
Pedone C
,
Vitagliano L
*
Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF
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509 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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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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706 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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Vergara A
, Franzese M,
Merlino A
,
Vitagliano L
, Verde C, Di Prisco G, Lee HC, Peisach J,
Mazzarella L
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Structural characterization of ferric hemoglobins from three Antarctic fish species of the suborder notothenioidei
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384 views
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
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2007 Oct;
93(8): 2822-2829.
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4.627
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Castiglioni E, Abbate S, Longhi G, Gangemi R, Lauceri R, Purrello R
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Absorption flattening as one cause of distortion of circular dichroism spectra of Δ-RuPhen3·H2TPPS complex
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318 views
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Chirality (ISSN: 0899-0042)
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2007 Sep;
19(8): 642-646.
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2.436
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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
)
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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Santoro F, Lami A,
Improta R
, Barone V
*
Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution
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509 views
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J Chem Phys (ISSN: 0021-9606, 0897-690online)
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2007 May 14;
126(18): 184102-184102.
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3.044
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Chambery A, Pisante M, Di Maro A, Di Zazzo E,
Ruvo M
, Costantini S, Colonna G, Parente A
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Invariant Ser211 is involved in the catalysis of PD-L4, type I RIP from Phytolacca dioica leaves
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368 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2007 Apr 1;
67(1): 209-218.
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3.354
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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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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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806 views
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P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print)
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2006 Sep 1;
103(31): 11533-11538.
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9.643
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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.
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3.73
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Alterio V
, Vitale RM,
Monti SM
,
Pedone C
, Scozzafava A, Cecchi A,
De Simone G
, Supuran CT
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Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX
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531 views
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126)
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2006 Jun 28;
128(25): 8329-8335.
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7.696
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Merlino A
,
Esposito L
,
Vitagliano L
*
Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
(
542 views
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Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2006 Jun 1;
63(4): 918-927.
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3.73
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Del Guerra A, Bartoli A, Belcari N, Herbert D, Motta A, Vaiano A, Di Domenico G, Sabba N, Moretti E, Zavattini G, Lazzarotti M, Sensi L,
Larobina M
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Performance evaluation of the fully engineered YAP-(S)PET scanner for small animal imaging
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339 views
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Ieee Transactions On Nuclear Science (ISSN: 0018-9499)
,
2006 Jun;
53(3): 1078-1083.
Impact Factor:
1.497
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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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Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V,
Improta R
*
Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives
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562 views
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J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126)
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2006 Jan 18;
128(2): 607-619.
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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.
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6.901
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Vacatello M,
D'Auria G
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Falcigno L
, Dettin M, Gambaretto R, Di Bello C, Paolillo L
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Conformational Analysis Of Novel Heparin Binding Peptides
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679 views
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Biomaterials (ISSN: 0142-9612, 1878-5905electronic, 0142-9612linking)
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2005 Jun;
26(16): 3207-3214.
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4.698
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Autiero M,
Liuzzi R
, Riccio P, Roberti G
*
Determination of the concentration scaling law of the scattering coefficient of water solutions of intralipid at 832 nm by comparison between collimated detection measurements and Monte Carlo simulations
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319 views
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Lasers Surg Med (ISSN: 0196-8092, 0196-8092print, 0196-8092linking)
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2005 Jun;
36(5): 414-422.
Impact Factor:
2.249
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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)
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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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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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541 views
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Arch Bioch Bioph (ISSN: 0003-9861, 0003-9861linking)
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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
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Biophysical Journal (ISSN: 0006-3495, 1542-0086)
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2005 Mar;
88(3): 2003-2012.
Impact Factor:
4.507
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Improta R
, Antonello S, Formaggio F, Maran F, Rega N, Barone V
*
Understanding Electron Transfer across Negatively-Charged Aib Oligopeptides
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652 views
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J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic)
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2005 Jan 20;
109(2): 1023-1033.
Impact Factor:
4.033
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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
(
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
)
Biophysical Journal (ISSN: 0006-3495, 1542-0086)
,
2004 Dec;
87(6): 3623-3632.
Impact Factor:
4.585
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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
(
564 views
)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2004 Sep 15;
56(3): 430-448.
Impact Factor:
4.429
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Mischiati C, Sereni A, Finotti A, Breda L, Cortesi R, Nastruzzi C,
Romanelli A
, Saviano M, Bianchi N,
Pedone C
, Borgatti M, Gambari R
*
Complexation to cationic microspheres of double-stranded peptide nucleic acid-DNA chimeras exhibiting decoy activity
(
406 views
)
Journal Of Biomedical Science (ISSN: 1021-7770)
,
2004 Sep;
11(5): 697-704.
Impact Factor:
1.567
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Merlino A
,
Vitagliano L
, Ceruso MA,
Mazzarella L
*
Dynamic properties of the N-terminal swapped dimer of ribonuclease
(
379 views
)
Biophysical Journal (ISSN: 0006-3495, 1542-0086)
,
2004 Apr;
86(4): 2383-2391.
Impact Factor:
4.585
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Quarantelli M
, Berkouk K,
Prinster A
, Landeau B, Svarer C, Balkay L,
Alfano B
,
Brunetti A
, Baron JC,
Salvatore M
*
Integrated software for the analysis of brain PET/SPECT studies with partial-volume-effect correction
(
575 views
)
(PDF
264 views
)
J Nucl Med (ISSN: 0161-5505, 1535-5667, 1535-5667electronic)
,
2004 Feb;
45(2): 192-201.
Impact Factor:
5.362
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Del Guerra A, Bartoli A, Belcari N, Herbert D, Motta A, Vaiano A, Di Domenico G, Sabba N, Moretti E, Zavattini G, Lazzarotti M, Sensi L,
Larobina M
*
Performance evaluation of the fully engineered YAP-(S)PET scanner for small animal imaging
(
413 views
)
2004 Ieee Nuclear Science Symposium Conference Record Vols 1 7
,
2004;
5: 2990-2994.
Impact Factor:
0
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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
(
411 views
)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic)
,
2003 Oct 1;
53(1): 101-110.
Impact Factor:
4.313
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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
)
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic)
,
2003 Apr 30;
24(6): 779-785.
Impact Factor:
3.186
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Kim KM, Varrone A, Watabe H, Shidahara M, Fujita M, Innis RB, Iida H
*
Contribution of scatter and attenuation compensation to SPECT images of nonuniformly distributed brain activities
(
286 views
)
J Nucl Med (ISSN: 0161-5505, 1535-5667, 1535-5667electronic)
,
2003 Apr;
44(4): 512-519.
Impact Factor:
4.899
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Kozarski M, Ferrari G, Clemente F, Gorczynska K, De Lazzari C, Darowski M, Mimmo R, Tosti G, Guaragno M
*
A hybrid mock circulatory system: development and testing of an electro-hydraulic impedance simulator
(
356 views
)
Int J Artif Organs (ISSN: 0391-3988, 0391-3988print)
,
2003 Jan;
26(1): 53-63.
Impact Factor:
0.964
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Vergara A
, Lorber B, Zagari A, Giege R
*
Physical aspects of protein crystal growth investigated with the advanced protein crystallization facility in reduced-gravity environments
(
537 views
)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking)
,
2003;
59(1): 2-15.
Impact Factor:
2.208
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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
)
Mol Phys (ISSN: 0026-8976)
,
2003;
101(17): 2763-2773.
Impact Factor:
1.591
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Clemente F, De Lazzari C, Darowski M, Ferrari G, Mimmo R, Guaragno M, Tosti G
*
Study of systolic pressure variation (SPV) in presence of mechanical ventilation
(
433 views
)
Int J Artif Organs (ISSN: 0391-3988, 0391-3988print)
,
2002 Apr;
25(4): 313-320.
Impact Factor:
1.192
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De Lazzari C, Darowski M, Ferrari G, Clemente F, Guaragno M
*
Energetic parameter changes with mechanical ventilation in conjunction with BVAD assistance
(
574 views
)
J Med Eng Technol (ISSN: 0309-1902)
,
2002 Mar;
26(2): 63-70.
Impact Factor:
0.538
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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
(
485 views
)
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking)
,
2001 Dec;
268(23): 6066-6075.
Impact Factor:
2.849
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Menchise V
, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
*
Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism
(
466 views
)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking)
,
2001 Oct 1;
359(1): 65-75.
Impact Factor:
4.326
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De Luca S
,
Tesauro D
, Di Lello P, Fattorusso R, Saviano M,
Pedone C
,
Morelli G
*
Synthesis and solution characterization of a porphyrin-CCK8 conjugate
(
451 views
)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print)
,
2001 Jul;
7(7): 386-394.
Impact Factor:
1.451
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Saviano M,
Romanelli A
, Bucci E,
Pedone C
, Mischiati C, Bianchi N, Feriotto G, Borgatti M, Gambari R
Computational procedures to explain the different biological activity of DNA/DNA, DNA/PNA and PNA/PNA hybrid molecules mimicking NF-κB binding sites
(
552 views
)
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking)
,
2000 Dec;
18(3): 353-362.
Impact Factor:
1.826
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Quarantelli M
,
Alfano B
,
Larobina M
,
Tedeschi E
,
Brunetti A
, Covelli EM, Ciarmiello A, Mainolfi C,
Salvatore M
Frequency encoding for simultaneous display of multimodality images
(
809 views
)
(PDF
194 views
)
J Nucl Med (ISSN: 0161-5505, 1535-5667, 1535-5667electronic)
,
1999 Mar;
40(3): 442-447.
Impact Factor:
3.326
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Martínez JC, Viguera AR,
Berisio R
, Wilmanns M, Mateo PL, Filimonov VV, Serrano L
Thermodynamic analysis of α-spectrin SH3 and two of its circular permutants with different loop lengths: Discerning the reasons for rapid folding in proteins
(
436 views
)
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic)
,
1999 Jan 12;
38(2): 549-559.
Impact Factor:
4.493
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Vitagliano L
, Adinolfi S, Riccio A,
Sica F
, Zagari A,
Mazzarella L
Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2 ', 5 ')adenosine
(
500 views
)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic)
,
1998 Sep;
7(8): 1691-1699.
Impact Factor:
4.44
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Alfano B
,
Quarantelli M
,
Brunetti A
,
Larobina M
, Covelli EM,
Tedeschi E
,
Salvatore M
Reproducibility of intracranial volume measurement by unsupervised multispectral brain segmentation
(
694 views
)
(PDF
601 views
)
Magn Reson Med (ISSN: 0740-3194, 1522-2594electronic, 0740-3194linking)
,
1998 Mar;
39(3): 497-499.
Impact Factor:
2.962
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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
(
456 views
)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print)
,
1996;
40(5): 465-478.
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
(
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
(
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
(
444 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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182
Records (
178
excluding Abstracts).
Total impact factor:
688.466
(
678.14
excluding Abstracts).
Total 5 year impact factor:
692.104
(
680.728
excluding Abstracts).
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