Autiero I, Roviello GN
Interaction of Laurusides 1 and 2 with the 3C-like Protease (M(pro)) from Wild-Type and Omicron Variant of SARS-CoV-2: A Molecular Dynamics Study
Int J Mol Sci (ISSN: 1422-0067linking), 2023 Mar 14; 24 (6 ): N/D-N/D.

Ewert E, Pospieszna-markiewicz I, Szymańska M, Kurkiewicz A, Belter A, Kubicki M, Patroniak V, Fik-jaskółka MA, Roviello GN
New N4-Donor Ligands as Supramolecular Guests for DNA and RNA: Synthesis, Structural Characterization, In Silico, Spectrophotometric and Antimicrobial Studies
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2023 Jan; 28: 400-421.

Acconcia C, Paladino A, Valle MD, Farina B, Del Gatto A, Gaetano SD, Capasso D, Gentile MT, Malgieri G, Isernia C, Saviano M, Fattorusso R, Zaccaro L, Russo L
High-Resolution Conformational Analysis of RGDechi-Derived Peptides Based on a Combination of NMR Spectroscopy and MD Simulations
Int J Mol Sci (ISSN: 1422-0067linking), 2022 Sep 20; 23 (19 ): N/D-N/D.

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
Biomolecules (ISSN: 2218-273xlinking), 2022 Aug 3; 12(8): 1071-1088.

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
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2022 May 7; 27(9): 2997-3006.

Roviello V, Gilhen-baker M, Vicidomini C, Roviello GN
The Healing Power of Clean Rivers: In Silico Evaluation of the Antipsoriatic Potential of Apiin and Hyperoside Plant Metabolites Contained in River Waters
Int J Environ Res Public Health (ISSN: 1660-4601linking), 2022 Feb 22; 19(5): 2502-2510.

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
Biomolecules (ISSN: 2218-273xlinking), 2022 Feb; 12(2): 262-273.

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
Int J Environ Res Public Health (ISSN: 1660-4601linking), 2022 Jan 16; 19(1): 273-273.

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
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic), 2021 Sep 30; 22 (19 ): N/D-N/D.

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
Biomolecules (ISSN: 2218-273xlinking), 2021 Jul 16; 11(7): N/D-N/D.

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
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2021 Jul; 28(24): 5004-5015.

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
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 May 29; 19: 3303-3318.

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
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2021 May 17; 182: 1455-1462.

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
Chem Biol Interact (ISSN: 0009-2797linking), 2021 Jan 25; 334: 109300-109301.

Vincenzi M, Mercurio FA, Leone M
NMR spectroscopy in the conformational analysis of peptides: an overview
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2021; 28(14): 2729-2782.

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
Bba-Gen Subjects (ISSN: 0304-4165linking, 0005-2728, 0006-3002print), 2020 Dec; 1864(12): 129717-129717.

Riccardi C, Capasso D, Coppola A, Platella C, Montesarchio D, Di Gaetano S, Roviello GN, Musumeci D
Synthesis, Antiproliferative Activity, and DNA Binding Studies of Nucleoamino Acid-Containing Pt(II) Complexes
Pharmaceuticals (ISSN: 1424-8247linking, 1424-8247print), 2020 Sep 30; 13(10): 284-284.

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
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2020 May 14; 63(9): 4811-4823.

Fik-jaskółkaa MA, Mkrtchyand AF, Saghyand AS, Palumbo R, Belter A, Hayriyand LA, Simonyane H, Roviello V, Roviello GN
Biological macromolecule binding and anticancer activity of synthetic alkyne-containing L-phenylalanine derivatives
Amino Acids (ISSN: 0939-4451linking, 1438-2199electronic), 2020 May; 52(5): 755-769.

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
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2020 Mar 12; 63(5): 2035-2050.

Mercurio FA, Di Natale C, Pirone L, Vincenzi M, Marasco D, De Luca S, Pedone EM, Leone M
Exploring the ability of cyclic peptides to target SAM domains: a computational and experimental study
Chembiochem (ISSN: 1439-4227linking, 1439-7633), 2020 Mar 2; 21(5): 702-711.

Riccardi C, Capasso D, Rozza GM, Platella C, Montesarchio D, Di Gaetano S, Marzo T, Pratesi A, Messori L, Roviello GN, Musumeci D
Synthesis, DNA binding studies, and antiproliferative activity of novel Pt(II)- complexes with an L-alanyl-based ligand
J Chem Res (ISSN: 0162-0134linking, 0162-0134print, 1873-3344), 2020 Feb; 203: 110868-110868.

Farina B, Del Gatto A, Comegna D, Di Gaetano S, Capasso D, Isernia C, Saviano M, Fattorusso R, Zaccaro L, Russo L
Conformational studies of RGDechi peptide by natural-abundance NMR spectroscopy
J Pept Sci (ISSN: 1075-2617linking, 1099-1387electronic), 2019 May; 25(5): e3166-e3166.

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
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic), 2019 Mar; 84: 434-443.

Sacco M, Lancellotti S, Berruti F, Arcovito A, Bellelli A, Ricciardelli T, Autiero I, Cavallo L, Oliva R, De Cristofaro R
Apixaban Interacts with Haemoglobin: Effects on Its Plasma Levels
Thromb Haemost (ISSN: 0340-6245linking), 2018 Oct; 118 (10 ): 1701-1712.

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
Cell Mol Life Sci (ISSN: 1420-9071electronic, 1420-682xlinking), 2018 Sep; 75(18): 3441-3456.

Grage SL, Kara S, Bordessa A, Doan V, Rizzolo F, Putzu M, Kubar T, Papini AM, Chaume G, Brigaud T, Afonin S, Ulrich AS
Orthogonal (19) F-Labeling for Solid-State NMR Spectroscopy Reveals the Conformation and Orientation of Short Peptaibols in Membranes
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2018 Jan 11; N/D: N/D-N/D.

Farina B, Sturlese M, Mascanzoni F, Caporale A, Monti A, Sorbo GD, Fattorusso R, Ruvo M, Doti N
Binding mode of AIF(370–394) peptide to CypA: insights from NMR, label-free and molecular docking studies
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2018; 475(14): 2377-2393.

Russo L, Farina B, Del Gatto A, Comegna D, Di Gaetano S, Capasso D, Liguoro D, Malgieri G, Saviano M, Fattorusso R, Zaccaro L
Deciphering RGDechi peptide‐α5β1 integrin interaction mode in isolated cell membranes
Peptide Science, 2018; N/D: N/D-N/D.

Brancaccio D, Diana D, Di Maro S, Di Leva FS, Tomassi S, Fattorusso R, Russo L, Scala S, Trotta AM, Portella L, Novellino E, Marinelli L, Carotenuto A
Ligand-Based NMR Study of C-X-C Chemokine Receptor Type 4 (CXCR4)-Ligand Interactions on Living Cancer Cells
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2018; 61(7): 2910-2923.

Di Stasi R, Diana D, Capasso D, Di Gaetano S, De Rosa L, Celentano V, Isernia C, Fattorusso R, D'Andrea LD
VEGFR Recognition Interface of a Proangiogenic VEGF-Mimetic Peptide Determined In Vitro and in the Presence of Endothelial Cells by NMR Spectroscopy
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2018; 24(44): 11461-11466.

Calvanese L, Foca A, Sandomenico A, Foca G, Caporale A, Doti N, Iaccarino E, Leonardi A, D'Auria G, Ruvo M, Falcigno L
Structural insights into the interaction of a monoclonal antibody and Nodal peptides by STD-NMR spectroscopy
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 0968-0896linking), 2017 Dec 15; 25(24): 6589-6596.

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
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 Dec 14; 60(23): 9874-9884.

Squeglia F, Romano M, Ruggiero A, Berisio R
Molecular players in Tuberculosis drug development: another break in the cell wall
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2017 Nov 24; 24(36): 3954-3969.

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
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 May 25; 60(10): 4316-4326.

Cavallari E, Carrera C, Aime S, Reineri F
(13) C MR Hyperpolarization of Lactate by Using ParaHydrogen and Metabolic Transformation in Vitro
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 Jan 23; 23(5): 1200-1204.

Di Matteo A, Franceschini M, Paiardini A, Grottesi A, Chiarella S, Rocchio S, Di Natale C, Marasco D, Vitagliano L, Travaglini-allocatelli C, Federici L
Structural investigation of Nucleophosmin interaction with the tumor suppressor Fbw7γ
Oncogenesis (ISSN: 2157-9024), 2017; 6(9): N/D-N/D.

Calvanese L, D'Auria G, Vangone A, Falcigno L, Oliva R
Analysis of the interface variability in NMR structure ensembles of protein-protein complexes
J Struct Biol (ISSN: 1047-8477, 1047-8477linking), 2016 Jun; 194(3): 317-324.

Celentano V, Diana D, Di Salvo C, De Rosa L, Romanelli A, Fattorusso R, D'Andrea LD
1, 2, 3-Triazole Bridge as Conformational Constrain in beta-Hairpin Peptides: Analysis of Hydrogen-Bonded Positions
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Apr 11; 22(16): 5534-5537.

Bottini A, Wu B, Barile E, De SK, Leone  M, Pellecchia M
High-Throughput Screening (HTS) by NMR Guided Identification of Novel Agents Targeting the Protein Docking Domain of YopH
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7179linking), 2015 Nov 23; 11(8): 919-927.

Moroni E, Paladino A, Colombo G
The Dynamics of Drug Discovery
Curr Top Med Chem (ISSN: 1568-0266linking), 2015 May 18; 15 (20 ): 2043-2055.

Brancaccio D, Merlino F, Limatola A, Yousif AM, Gomez-Monterrey I, Campiglia P, Novellino E, Grieco P, Carotenuto A
An investigation into the origin of the biased agonism associated with the urotensin II receptor activation
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617linking), 2015 Feb 19; 21(5): 392-399.

Smaldone G, Diana D, Pollegioni L, Di Gaetano S, Fattorusso R, Pedone E
Insight into conformational modification of alpha-synuclein in the presence of neuronal whole cells and of their isolated membranes
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468), 2015 Feb 18; 589(7): 798-804.

Calvanese L, Sandomenico A, Caporale A, Foca A, Foca G, D'Auria G, Falcigno L, Ruvo M
Conformational features and binding affinities to Cripto, ALK7 and ALK4 of Nodal synthetic fragments
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617linking), 2015 Jan 15; 21(4): 283-293.

D'Ambrosio K, Carradori S, Monti SM, Buonanno M, Secci D, Vullo D, Supuran CT, De Simone G
Out of the active site binding pocket for carbonic anhydrase inhibitors
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.

Diana D, Russomanno A, De Rosa L, Di Stasi R, Capasso D, Di Gaetano S, Romanelli A, Russo L, D'Andrea LD, Fattorusso R
Functional Binding Surface Of A Beta-Hairpin Vegf Receptor Targeting Peptide Determined By Nmr Spectroscopy In Living Cells
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2015 Jan 2; 21(1): 91-95.

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
Soft Matter (ISSN: 1744-683x), 2015; 11(15): 3003-3016.

Merlo S, Basile L, Giuffrida ML, Sortino MA, Guccione S, Copani A
Identification of 5-Methoxyflavone as a Novel DNA Polymerase-Beta Inhibitor and Neuroprotective Agent against Beta-Amyloid Toxicity
J Nat Prod (ISSN: 0163-3864), 2015; 78(11): 2704-2711.

Caso JV, Russo L, Palmieri M, Malgieri G, Galdiero S, Falanga A, Isernia C, Iacovino R
Investigating the inclusion properties of aromatic amino acids complexing beta-cyclodextrins in model peptides
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015; N/D: N/D-N/D.

Mercurio FA, Di Natale C, Pirone L, Scognamiglio PL, Marasco D, Pedone EM, Saviano M, Leone M
Peptide Fragments of Odin-Sam1: Conformational Analysis and Interaction Studies with EphA2-Sam
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2015; 16(11): 1629-1636.

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
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 100-108.

Correale S, de Paola I, Morgillo CM, Federico A, Zaccaro L, Pallante P, Galeone A, Fusco A, Pedone E, Luque FJ, Catalanotti B
Structural Model of the hUbA1-UbcH10 Quaternary Complex: In Silico and Experimental Analysis of the Protein-Protein Interactions between E1, E2 and Ubiquitin
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Nov 6; 9(11): e112082-e112082.

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
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014 Nov; 101(11): 1088-1098.

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
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2014 Oct 16; 9(10): e109340-e109340.

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
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2014 Sep 17; 4(1): 73-81.

D'Ambrosio K, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G, Monti SM, Winum JY, De Simone G
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
Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking), 2014 Feb; 97(1): 114-120.

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
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2014 Jan 21; 111(3): E404-E404.

De Rosa L, Diana D, Basile A, Russomanno A, Isernia C, Turco MC, Fattorusso R, D'Andrea LD
Design, Structural And Biological Characterization Of A Vegf Inhibitor Beta-Hairpin-Constrained Peptide
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2014; 73: 210-216.

Diana D, Smaldone G, De Antonellis P, Pirone L, Carotenuto M, Alonzi A, Di Gaetano S, Zollo M, Pedone E, Fattorusso R
Mapping Functional Interaction Sites of Human Prune C-Terminal Domain by NMR Spectroscopy in Human Cell Lysates
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2013 Sep 9; 19(37): 12217-12220.

Farina B, Doti N, Pirone L, Malgieri G, Pedone E, Ruvo M, Fattorusso R
Molecular basis of the PED/PEA15 interaction with the C-terminal fragment of phospholipase D1 revealed by NMR spectroscopy
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Sep; 1834(8): 1572-1580.

Doti N, Raimondo D, Sabatella M, Ruvo M
Identification of Protease Inhibitors by a Fast Fluorimetric Assay
Mol Biotechnol (ISSN: 1073-6085, 1559-0305electronic, 1073-6085linking), 2013 Jun; 54(2): 283-291.

Mercurio FA, Marasco D, Pirone L, Scognamiglio PL, Pedone E, Pellecchia M, Leone M
Heterotypic Sam-Sam Association Between Odin-Sam1 And Arap3-Sam: Binding Affinity And Structural Insights
Chembiochem (ISSN: 1439-4227, 1439-9422, 1439-7633), 2013 Jan 2; 14(1): 100-106.

Vitiello G, Fragneto G, Petruk AA, Falanga A, Galdiero S, D'Ursi A, Merlino A, D'Errico G
Cholesterol modulates the fusogenic activity of a membranotropic domain of the FIV glycoprotein gp36
Soft Matter (ISSN: 1744-683x), 2013; 9(28): 6442-6456.

Bellia F, Pietropaolo A,  Grasso G
Formation of insulin fragments by insulin-degrading enzyme: The role of zinc(II) and cystine bridges
J Mass Spectrom (ISSN: 1076-5174, 1096-9888), 2013; 48(2): 135-140.

Grasso G, Salomone F, Tundo GR, Pappalardo G, Ciaccio C, Spoto G, Pietropaolo A, Coletta M, Rizzarelli E
Metal ions affect insulin-degrading enzyme activity
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2012 Dec; 117: 351-358.

Santoro AM, Lo Giudice MC, D'Urso A, Lauceri R, Purrello R, Milardi D
Cationic porphyrins are reversible proteasome inhibitors
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2012 Jun 27; 134(25): 10451-10457.

Alterio V, Langella E, Viparelli F, Vullo D, Ascione G, Dathan NA, Morel FM, Supuran CT, De Simone G, Monti SM
Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1232-1241.

Galdiero S, Russo L, Falanga A, Cantisani M, Vitiello M, Fattorusso R, Malgieri G, Galdiero M, Isernia C
Structure and Orientation of the gH625-644 Membrane Interacting Region of Herpes Simplex Virus Type 1 in a Membrane Mimetic System
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2012 Apr 10; 51(14): 3121-3128.

Sharma A, Gautam V, Costantini S, Paladino A, Colonna G
Interactomic and pharmacological insights on human sirt-1
Front Pharmacol (ISSN: 1663-9812linking), 2012 Mar 23; 3: 40-40.

Mercurio FA, Marasco D, Pirone L, Pedone E, Pellecchia M,  Leone M
Solution Structure of the First Sam Domain of Odin and Binding Studies with the EphA2 Receptor
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2012 Mar 13; 51(10): 2136-2145.

Merlino A, Vitiello G, Grimaldi M, Sica F, Busi E, Basosi R, D’Ursi A, Fragneto G, Paduano L, D’Errico G
Destabilization of Lipid Membranes by a Peptide Derived from Glycoprotein gp36 of Feline Immunodeficiency Virus: A Combined Molecular Dynamics/Experimental Study
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2012 Jan 12; 116(1): 401-412.

Falanga A, Vitiello MT, Cantisani M, Tarallo R, Guarnieri D, Mignogna E, Netti P, Pedone C, Galdiero M, Galdiero S
A peptide derived from herpes simplex virus type 1 glycoprotein H: membrane translocation and applications to the delivery of quantum dots
Nanomedicine (ISSN: 1549-9642, 1549-9634, 1549-9642electronic), 2011 Dec; 7(6): 925-934.

Malgieri G, Zaccaro L, Leone M, Bucci E, Esposito S, Baglivo I, Del Gatto A, Russo L, Scandurra R, Pedone PV, Fattorusso R, Isernia C
Zinc to Cadmium Replacement in the A. thaliana SUPERMAN Cys(2)His(2) Zinc Finger Induces Structural Rearrangements of Typical DNA Base Determinant Positions
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2011 Nov; 95(11): 801-810.

Troise F, Monti M, Merlino A, Cozzolino F, Fedele C, Russo Krauss I, Sica F, Pucci P, D'Alessio G, De Lorenzo C
A novel ErbB2 epitope targeted by human antitumor immunoagents
Febs Journal (ISSN: 1742-464x), 2011 Apr; 278(7): 1156-1166.

Cucinotta V, Giuffrida A, Grasso G, MacCarrone G, Mazzaglia A, Messina M, Vecchio G
Diaminotrehalose-capped β-cyclodextrin, a new member of hemispherodextrins: Synthesis, thermodynamic and spectroscopic characterization and its exploitation in chiral electrokinetic chromatography
J Sep Sci (ISSN: 1615-9306), 2011 Jan; 34(1): 70-76.

Verardi R, Traaseth NJ, Shi L, Porcelli F, Monfregola L, De Luca S, Amodeo P, Veglia G, Scaloni A
Probing membrane topology of the antimicrobial peptide distinctin by solid-state NMR spectroscopy in zwitterionic and charged lipid bilayers
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002, 0925-4439), 2011 Jan; 1808(1): 34-40.

Di Natale G, Pappalardo G, Milardi D, Sciacca MF, Attanasio F, La Mendola D, Rizzarelli E
Membrane interactions and conformational preferences of human and avian prion N-terminal tandem repeats: The role of copper(II) ions, pH, and membrane mimicking environments
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 Nov 4; 114(43): 13830-13838.

Calvanese L, Marasco D, Doti N, Saporito A, D'Auria G, Paolillo L, Ruvo M, Falcigno L
Structural Investigations on the Nodal-Cripto Binding: A Theoretical and Experimental Approach
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 Nov; 93(11): 1011-1021.

Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S
Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.

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
Febs J (ISSN: 1742-4658, 1742-464x, 1742-4658electronic), 2010 Oct; 277(20): 4229-4240.

Leone M, Barile E, Vazquez J, Mei A, Guiney D, Dahl R, Pellecchia M
NMR-based design and evaluation of novel bidentate inhibitors of the protein tyrosine phosphatase YopH
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2010 Jul; 76(1): 10-16.

Galdiero S, Falanga A, Vitiello M, Raiola L, Russo L, Pedone C, Isernia C, Galdiero M
The presence of a single N-terminal histidine residue enhances the fusogenic properties of a Membranotropic peptide derived from herpes simplex virus type 1 glycoprotein
Jbc Papers (ISSN: 1083-351x, 0021-9258, 0021-9258linking), 2010 May 28; 285(22): 17123-17136.

Diana D, Ziaco B, Scarabelli G, Pedone C, Colombo G, D'Andrea LD, Fattorusso R
Structural analysis of a helical peptide unfolding pathway
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2010 May 10; 16(18): 5400-5407.

Abbate M, Casella G, Fiore T, Grasso G, Pellerito C, Scopelliti M, Spinella A, Pellerito L
Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations
J Organomet Chem (ISSN: 0022-328x), 2010 May 1; 695(9): 1405-1413.

Satriano C, Messina GM, Marino C, Aiello I, Conte E, La Mendola D, Distefano DA, D'Alessandro F, Pappalardo G, Impellizzeri G
Surface immobilization of fibronectin-derived PHSRN peptide on functionalized polymer films - Effects on fibroblast spreading
J Colloid Interface Sci (ISSN: 1095-7103electronic, 0021-9797linking), 2010 Jan 15; 341(2): 232-239.

Puglisi A, Rizzarelli E, Vecchio G, Iacovino R, Benedetti E, Pedone C, Saviano M
Crystal And Molecular Structure Of Beta-Cyclodextrins Functionalized With The Anti-Inflammatory Drug Etodolac
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1227-1235.

Marasco D, Stilo R, Sandomenico A, Monti SM, Tizzano B, De Capua A, Varricchio E, Liguoro D, Zotti T, Formisano S, Ruvo M, Vito P
Generation And Functional Characterization Of A Bcl10-Inhibitory Peptide That Represses Nf-Kappa B Activation
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2009 Sep 15; 422(3): 553-561.

Calvanese L, Saporito A, Oliva R, D'Auria G, Pedone C, Paolillo L, Ruvo M, Marasco D, Falcigno L
Structural insights into the interaction between the Cripto CFC domain and the ALK4 receptor
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 175-183.

Kaczmarek K, Farina B, Zubrzak P, Jankowski S, Zimecki M, Suder P, Benedetti E, Fattorusso R, Saviano M, Zabrocki J
Synthesis, conformational analysis and immunological activity of β3Phe-substituted Cyclolinopeptide A analogues
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 166-174.

Galdiero S, Falanga A, Vitiello M, Raiola L, Fattorusso R, Browne H, Pedone C, Isernia C, Galdiero M
Analysis of a membrane interacting region of herpes simplex virus type 1 glycoprotein
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2008 Oct 31; 283(44): 29993-30009.

Hilvo M, Baranauskiene L, Salzano AM, Scaloni A, Matulis D, Innocenti A, Scozzafava A, Monti SM, Di Fiore A, De Simone G, Lindfors M, Janis J, Valjakka J, Pastorekova S, Pastorek J, Kulomaa MS, Nordlund HR, Supuran CT, Parkkila S
Biochemical characterization of CA IX, one of the most active carbonic anhydrase isozymes
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2008 Oct 10; 283(41): 27799-27809.

Merlino A, Varriale S, Coscia MR, Mazzarella L, Oreste U
Structure and dimerization of the teleost transmembrane immunoglobulin region
Journal Of Molecular Graphics & Modelling (ISSN: 1093-3263), 2008 Oct; 27(3): 401-407.

Sinibaldi F, Fiorucci L, Patriarca A, Lauceri R, Ferri T, Coletta M, Santucci R
Insights into cytochrome c-cardiolipin interaction. Role played by ionic strength
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2008 Jul 1; 47(26): 6928-6935.

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
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2008 Jun 14; 128(22): 17-17.

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
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2008; 14(14): 4164-4166.

Malgieri G, Russo L, Esposito S, Baglivo I, Zaccaro L, Pedone EM, Di Blasio B, Isernia C, Pedone PV, Fattorusso R
The Prokaryotic Cys2his2 Zinc Finger Domain Adopts A Novel Fold As Revealed By The Solution Structure Of Agrobacterium Tumefaciens Ros Dna Binding Domain
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007 Oct 30; 104(44): 17341-17346.

De Pinto V, Tomasello F, Messina A, Guarino F, Benz R, La Mendola D, Magrì A, Milardi D, Pappalardo G
Determination of the conformation of the human VDAC1 N-terminal peptide, a protein moiety essential for the functional properties of the pore
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2007 May 7; 8(7): 744-756.

Ragno R, Simeoni S, Castellano S, Vicidomini C, Mai A, Caroli A, Tramontano  A, Bonaccini C, Trojer P, Bauer I, Brosch G, Sbardella G
Small molecule inhibitors of histone arginine methyltransferases: Homology modeling, molecular docking, binding mode analysis, and biological evaluations
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2007 Mar 22; 50(6): 1241-1253.

Pappalardo G, Milardi D, Magrì A, Attanasio F, Impellizzeri G, La Rosa C, Grasso D, Rizzarelli E
Environmental factors differently affect human and rat IAPP: Conformational preferences and membrane interactions of IAPP17-29 peptide derivatives
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2007; 13(36): 10204-10215.

Milardi D, Arnesano F, Grasso G, Magrì A, Tabbì G, Scintilla S, Natile G, Rizzarelli E
Ubiquitin stability and the Lys63-linked polyubiquitination site are compromised on copper binding
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic, 1433-7851linking), 2007; 46(42): 7993-7995.

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
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2006 Feb; 7(2): 377-387.

D'Andrea LD, Iaccarino G, Fattorusso R, Sorriento D, Carannante C, Capasso D, Trimarco B, Pedone C
Targeting angiogenesis: Structural characterization and biological properties of a de novo engineered VEGF mimicking peptide
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2005 Oct 4; 102(40): 14215-14220.

Galdiero S, Falanga A, Vitiello M, Browne H, Pedone C, Galdiero M
Fusogenic domains in herpes simplex virus type 1 glycoprotein
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 Sep 5; 280(31): 28632-28643.

Falcigno L, Oliva R, D'Auria G, Maletta M, Dettin M, Pasquato A, Di Bello C, Paolillo L
Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site 3: Role of site-specific mutations
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2004 Dec 3; 5(12): 1653-1661.

Improta R, Barone V
Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.

Lombardi A, Nastri F, Marasco D, Maglio O, De Sanctis G, Sinibaldi F, Santucci R, Coletta M, Pavone V
Design of a new mimochrome with unique topology
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2003 Nov 21; 9(22): 5643-5654.

Oliva R, Falcigno L, D'Auria G, Dettin M, Scarinci C, Pasquato A, Di Bello C, Paolillo L
Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2003 Sep 4; 4(8): 727-733.

Oliva R, Falcigno L, D'Auria G, Dettin M, Scarinci C, Pasquato A, Di Bello C, Paolillo L
Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site, 2: relevance of an N-terminal helix
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2003 Aug 4; 4(8): 727-733.

Isernia C, Bucci E, Leone M, Zaccaro L, Di Lello P, Digilio G, Esposito S, Saviano M, Di Blasio B, Pedone C, Pedone PV, Fattorusso R
NMR structure of the single QALGGH zinc finger domain from the Arabidopsis thaliana SUPERMAN protein
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2003 Mar 3; 4(2-3): 171-180.

Improta R, Mele F, Crescenzi O, Benzi C, Barone V
Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)n polypeptides
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jul 3; 124(26): 7857-7865.

Improta R, Kudin KN, Scuseria GE, Barone V
Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.

Saracino GAA, Tedeschi A, D'Errico G, Improta R, Franco L, Ruzzi M, Corvaia C, Barone V
Solvent polarity and pH effects on the magnetic properties of ionizable nitroxide radicals: A combined computational and experimental study of 2, 2, 5, 5-tetramethyl-3-carboxypyrrolidine and 2, 2, 6, 6-tetramethyl-4-carboxypiperidine nitroxides
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic, 1089-5639linking), 2002; 106(44): 10700-10706.

De Falco S, Ruvoletto MG, Verdoliva A, Ruvo M, Raucci A, Marino M, Senatore S, Cassani G, Alberti A, Pontisso P, Fassina G
Cloning and Expression of a Novel Hepatitis B Virus-binding Protein from HepG2 Cells
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2001 Sep 28; 276(39): 36613-36623.

Saviano G, Rossi F, Benedetti E, Pedone C, Mierke DF, Maione A, Zanotti G, Tancredi T, Saviano M
Structural consequences of metal complexation of cyclo[Pro-Phe-Phe-Ala-Xaa]2 decapeptides
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001 Mar 16; 7(6): 1176-1183.

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
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2001; 7(7): 1479-1485.

Impellizzeri G, Pappalardo G, Purrello R, Rizzarelli E, Santoro AM
Synthesis, spectroscopic characterisation, and metal ion interaction of a new α-helical peptide
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 1998; 4(9): 1791-1798.

D'Auria G, Maglio O, Nastri F, Lombardi A, Mazzeo M, Morelli G, Paolillo L, Pedone C, Pavone V
Hemoprotein models based on a covalent helix-heme-helix sandwich: 2. Structural characterization of Co(III) mimochrome I Δ and Λ isomers
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 1997; 3(3): 350-362.