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
Molecules (ISSN: 1420-3049linking), 2021 Aug 7; 26(16): N/D-N/D.

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
Int J Biol Macromol (ISSN: 0141-8130linking), 2021 Jun 30; 181: 858-867.

Alterio V, Langella E, Buonanno M, Esposito D, Nocentini A, Berrino E, Bua S, Polentarutti M, Supuran CT, Monti SM, De Simone G
Zeta-carbonic anhydrases show CS(2) hydrolase activity: A new metabolic carbon acquisition pathway in diatoms?
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 Jun 5; 19: 3427-3436.

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
Int J Mol Sci (ISSN: 1422-0067linking), 2021 Jun 2; 22(11): 6028-6028.

Marchesani F, Gianquinto E, Autiero I, Michielon A, Campanini B, Faggiano S, Bettati S, Mozzarelli A, Spyrakis F, Bruno S
The allosteric interplay between S-nitrosylation and glycine binding controls the activity of human serine racemase
Febs J (ISSN: 1742-464xlinking), 2021 May; 288(9): 3034-3054.

Platella C, Napolitano E, Riccardi C, Musumeci D, Montesarchio D
Disentangling the Structure-Activity Relationships of Naphthalene Diimides as Anticancer G-Quadruplex-Targeting Drugs
J Med Chem (ISSN: 0022-2623linking), 2021 Apr 8; 64(7): 3578-3603.

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
J Biomol Struct Dyn (ISSN: 0739-1102linking), 2021 Apr; 39(6): 2199-2209.

Kramarska E, Squeglia F, De Maio F, Delogu G, Berisio R
PE_PGRS33, an Important Virulence Factor of Mycobacterium tuberculosis and Potential Target of Host Humoral Immune Response
Cells (ISSN: 2073-4409linking), 2021 Jan 15; 10(1): N/D-N/D.

Moccia M, Mercurio FA, Langella E, Piacenti V, Leone M, Adamo MFA, Saviano M
Structural Insights on Tiny Peptide Nucleic Acid (PNA) Analogues of miRNA-34a: An in silico and Experimental Integrated Approach
Front Chem (ISSN: 2296-2646linking), 2020 Nov 23; 8: 568575-568575.

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
J Biomol Struct Dyn (ISSN: 0739-1102linking), 2020 Nov; N/D: 1-11.

Ronda L, Tonelli A, Sogne E, Autiero I, Spyrakis F, Pellegrino S, Abbiati G, Maffioli E, Schulte C, Piano R, Cozzini P, Mozzarelli A, Bettati S, Clerici F, Milani P, Lenardi C, Tedeschi G, Gelmi ML
Rational Design of a User-Friendly Aptamer/Peptide-Based Device for the Detection of Staphylococcus aureus
Sensors (ISSN: 1424-8220linking), 2020 Sep 2; 20(17): N/D-N/D.

D'Abrosca G, Paladino A, Baglivo I, Russo L, Sassano M, Grazioso R, Iacovino R, Pirone L, Pedone E, Pedone P, Isernia C, Fattorusso R, Malgieri G
Structural Insight of the Full-Length Ros Protein: A Prototype of the Prokaryotic Zinc-Finger Family
Sci Rep (ISSN: 2045-2322, 2045-2322linking), 2020 Jun 9; 10(1): 9283-9283.

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), 2020 May 14; 63(9): 4811-4823.

Doti N, Caporale A, Monti A, Sandomenico A, Selis F, Ruvo M
A recent update on the use of microbial transglutaminase for the generation of biotherapeutics
World J Microbiol Biotechnol (ISSN: 0959-3993linking), 2020 Mar 14; 36(4): 53-53.

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
Eur Biophys J (ISSN: 0175-7571linking), 2020 Mar; 49(2): 175-191.

Piacenti V, Langella E, Autiero I, Nolan JC, Piskareva O, Adamo MFA, Saviano M, Moccia M
A combined experimental and computational study on peptide nucleic acid (PNA) analogues of tumor suppressive miRNA-34a
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic), 2019 Oct; 91: 103165-103165.

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
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Sep 15; 137: 1179-1189.

Balasco N, Smaldone G, Vitagliano L
The Structural Versatility of the BTB Domains of KCTD Proteins and Their Recognition of the GABA(B) Receptor
Biomolecules (ISSN: 2218-273xlinking), 2019 Jul 31; 9 (8 ): N/D-N/D.

Esposito L, Donnarumma F, Ruggiero A, Leone S, Vitagliano L, Picone D
Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Jul 15; 133: 1125-1133.

Squeglia F, Moreira M, Ruggiero A, Berisio R
The Cell Wall Hydrolytic NlpC/P60 Endopeptidases in Mycobacterial Cytokinesis: A Structural Perspective
Cells (ISSN: 2073-4409linking), 2019 Jun 18; 8(6): N/D-N/D.

Ruggiero A, Smaldone G, Esposito L, Balasco N, Vitagliano L
Loop size optimization induces a strong thermal stabilization of the thioredoxin fold
Febs J (ISSN: 1742-464xlinking), 2019 May; 286(9): 1752-1764.

Pirone L, Pitzer JE, D'Abrosca G, Fattorusso R, Malgieri G, Pedone EM, Pedone PV, Roop RM, Baglivo I
Identifying the region responsible for Brucella abortus MucR higher-order oligomer formation and examining its role in gene regulation
Sci Rep (ISSN: 2045-2322electronic, 2045-2322linking), 2018 Nov 22; 8(1): 17238-17238.

De Maio F, Squeglia F, Goletti D, Delogu G
The Mycobacterial HBHA Protein: a Promising Biomarker for Tuberculosis
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2018 Oct 29; 26(11): 2051-2060.

Calvanese L, Falcigno L, Squeglia F, Berisio R, D'Auria G
PASTA sequence composition is a predictive tool for protein class identification
Amino Acids (ISSN: 1438-2199electronic, 0939-4451linking), 2018 Oct; 50(10): 1441-1450.

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
J Phys Chem Lett (ISSN: 1948-7185electronic, 1948-7185linking), 2018 Sep 6; 9(17): 5125-5129.

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
Cell Mol Life Sci (ISSN: 1420-682xlinking), 2018 Sep; 75(17): 3283-3296.

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
Int J Biol Macromol (ISSN: 1879-0003electronic, 0141-8130linking), 2018 Sep; 116: 620-632.

Perrella F, Raucci U, Chiariello MG, Chino M, Maglio O, Lombardi A, Rega N
Unveiling the structure of a novel artificial heme-enzyme with peroxidase-like activity: A theoretical investigation
Biopolymers (ISSN: 1097-0282electronic, 0006-3525linking, 0006-3525print), 2018 Aug; 109(10): e23225-e23225.

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
Chemphyschem (ISSN: 1439-4235linking), 2018 Jul 5; 19 (13 ): 1635-1642.

Smaldone G, Berisio R, Balasco N, D'Auria S, Vitagliano L, Ruggiero A
Domain swapping dissection in Thermotoga maritima arginine binding protein: How structural flexibility may compensate destabilization
Bba-Gen Subjects (ISSN: 1570-9639print, 1570-9639linking, 0005-2728), 2018 May 31; 1866(9): 952-962.

Martinez-fernandez L, Improta R
Sequence dependence on DNA photochemistry: a computational study of photodimerization pathways in TpdC and dCpT dinucleotides
Photochemical & (ISSN: 1474-9092electronic, 1474-905xlinking), 2018 May 16; 17(5): 586-591.

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
Chemistry (ISSN: 0947-6539linking), 2018 May 7; 24 (26 ): 6804-6817.

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
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2018 May; 19(6): 19-24.

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
Bba-Gen Subjects (ISSN: 0304-4165print, 0304-4165linking, 1872-8006electronic), 2018 Apr; 1862(4): 1006-1016.

Squeglia F, Berisio R, Ruggiero A
The novel thermostable cellulose-degrading enzyme DtCel5H from Dictyoglomus thermophilum: crystallization and X-ray crystallographic analysis
Acta Crystallogr F Struct Biol Commun (ISSN: 2053-230xelectronic, 2053-230xlinking), 2018 Jan 1; 74(Pt1): 1-5.

Fusco FA, Ronca R, Fiorentino G, Pedone E, Contursi P, Bartolucci S, Limauro D
Biochemical characterization of a thermostable endomannanase/endoglucanase from Dictyoglomus turgidum
Extremophiles (ISSN: 1433-4909electronic, 1431-0651linking), 2018 Jan; 22(1): 131-140.

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.

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.

Calvanese L, Caporale A, Focà G, Iaccarino E, Sandomenico A, Doti N, Apicella I, Incisivo GM, De Falco S, Falcigno L, D’auria G, Ruvo M
Targeting VEGF receptors with non-neutralizing cyclopeptides for imaging applications
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2017 Dec 2; 50(2): 321-329.

Baglivo I, Pirone L, Pedone E, Pitzer JE, Muscariello L, Marino MM, Malgieri G, Freschi A, Chambery A, Roop Ii RM, Pedone PV
Ml proteins from Mesorhizobium loti and MucR from Brucella abortus: an AT-rich core DNA-target site and oligomerization ability
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2017 Nov 17; 7(1): 15805-15805.

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?
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639linking), 2017 Jun 06; 1865(9): 1095-1104.

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
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2017 May; 35(6): 1322-1330.

Dennehy R, RomanoM, Ruggiero A, Mohamed YF, Dignam SL, Mujica Troncoso C, Callaghan M, Valvano MA, Berisio R, Mcclean S
The Burkholderia cenocepacia peptidoglycan-associated lipoprotein is involved in epithelial cell attachment and elicitation of inflammation
Cell Microbiol (ISSN: 1462-5814), 2017 May; 19(5): e12691-e12691.

Leiria Campo V, Riul TB, Oliveira Bortot L, Martins-teixeira MB, Fiori Marchiori M, Iaccarino E, Ruvo M, Dias-baruffi M, Carvalho I
A Synthetic MUC1 Glycopeptide Bearing betaGalNAc-Thr as a Tn Antigen Isomer Induces the Production of Antibodies against Tumor Cells
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2017 Mar 16; 18(6): 527-538.

Martínez-fernández L, Granucci G, Pollum M, Crespo-hernández CE, Persico M, Corral I
Decoding the Molecular Basis for the Population Mechanism of the Triplet Phototoxic Precursors in UVA Light-Activated Pyrimidine Anticancer Drugs
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017; 23(11): 2619-2627.

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.

Troise AD, Buonanno M, Fiore A, Monti SM, Fogliano V
Evolution of protein bound Maillard reaction end-products and free Amadori compounds in low lactose milk in presence of fructosamine oxidase
Food Chem (ISSN: 0308-8146, 0308-8146print), 2016 Dec 1; 212: 722-729.

Barone D, Balasco N, Autiero I, Vitagliano L
The dynamic properties of the Hepatitis C Virus E2 envelope protein unraveled by molecular dynamics
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Dec; N/D: 1-12.

Diaferia C, Sibillano T, Balasco N, Giannini C, Roviello V, Vitagliano L, Morelli G, Accardo A
Hierarchical Analysis of Self-Assembled PEGylated Hexaphenylalanine Photoluminescent Nanostructures
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Nov 7; 22(46): 16586-16597.

Barone D, Balasco N, Vitagliano L
KCTD5 is endowed with large, functionally relevant, interdomain motions
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2016 Aug; 34(8): 1725-1735.

Smaldone G, Vigorita M, Ruggiero A, Balasco N, Dattelbaum JD, D'Auria S, Del Vecchio P, Graziano G, Vitagliano L
Proline 235 plays a key role in the regulation of the oligomeric states of Thermotoga maritima Arginine Binding Protein
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2016 Jul; 1864(7): 814-824.

Smaldone G, Pirone L, Pedone E, Marlovits T, Vitagliano L, Ciccarelli L
The BTB domains of the potassium channel tetramerization domain proteins prevalently assume pentameric states
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468), 2016 Jun; 590(11): 1663-1671.

Ruvo M, Doti N, Lorenzo V, Vitagliano L, Mascanzoni F
The Interacting Domains of PREP1 and p160 are Endowed with a Remarkable Structural Stability
Mol Biotechnol (ISSN: 1073-6085, 1559-0305electronic, 1073-6085linking), 2016 May; 58(5): 328-339.

Diana D, De Rosa L, Palmieri M, Russomanno A, Russo L, La Rosa C, Milardi D, Colombo G, D'Andrea LD, Fattorusso R
Long range Trp-Trp interaction initiates the folding pathway of a pro-angiogenic beta-hairpin peptide
Sci Rep (ISSN: 2045-2322, 2045-2322electronic, 2045-2322linking), 2015 Nov 25; 5: 16651-16651.

Karlsson J, Morgillo CM, Deplano A, Smaldone G, Pedone E, Luque FJ, Svensson M, Novellino E, Congiu C, Onnis V, Catalanotti B, Fowler CJ
Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding Mode
Plos One (ISSN: 1932-6203linking), 2015 Nov 13; 10 (11 ): e0142711-N/D.

Ruggiero A, Squeglia F, Romano M, Vitagliano L, De Simone A, Berisio R
The structure of Resuscitation promoting factor B from M. tuberculosis reveals unexpected ubiquitin-like domains
Bba-Gen Subjects (ISSN: 0005-2728, 0006-3002print, 1570-9639print), 2015 Nov 5; 1860(2): 445-451.

Calce E, Monfregola L, Saviano M, De Luca S
HER2-mediated anticancer drug delivery: strategies to prepare targeting ligands highly specific for the receptor
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 May 20; 22(21): 2525-2538.

Smaldone G, Pirone L, Balasco N, Di Gaetano S, Pedone E, Vitagliano L
Cullin 3 recognition is not a universal property among KCTD proteins
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2015 May 14; 10(5): e0126808-e0126808.

De Paola I, Pirone L, Palmieri M, Balasco N, Esposito L, Russo L, Mazza D, Di Marcotullio L, Di Gaetano S, Malgieri G, Vitagliano L, Pedone E, Zaccaro L
Cullin3 - BTB interface: A novel target for stapled peptides
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2015 Apr 7; 10(4): e0121149-e0121149.

Nikitushkin VD, Demina GR, Shleeva MO, Guryanova SV, Ruggiero A, Berisio R, Kaprelyants AS
A product of RpfB and RipA joint enzymatic action promotes the resuscitation of dormant mycobacteria
Febs J (ISSN: 1742-464x), 2015 Apr 3; 282(13): 2500-2511.

Calvanese L, Falcigno L, D'Auria G
Essential Dynamics Analysis Captures the Concerted Motion of the Integrin-Binding Site in Jerdostatin, an RTS Disintegrin
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2015 Mar; 103(3): 158-166.

Autiero I, Saviano M, Langella E
Conformational studies of chiral D-Lys-PNA and achiral PNA system in binding with DNA or RNA through a molecular dynamics approach
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015 Feb 16; 91: 109-117.

Balasco N, Barone D, Vitagliano L
Structural conversion of the transformer protein RfaH: new insights derived from protein structure prediction and molecular dynamics simulations
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2015 Jan 12; 33(10): 2173-2179.

Antonini D, Sirico A, Aberdam E, Ambrosio R, Campanile C, Fagoonee S, Altruda F, Aberdam D, Brissette JL, Missero C
A composite enhancer regulates p63 gene expression in epidermal morphogenesis and in keratinocyte differentiation by multiple mechanisms
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962), 2015 Jan; 43(2): 862-874.

Troise AD, Fiore A, Roviello GN, Monti SM, Fogliano V
Simultaneous quantification of amino acids and Amadori products in foods through ion-pairing liquid chromatography-high-resolution mass spectrometry
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015 Jan; 47(1): 111-124.

Petrone A, Cerezo J, Ferrer FJA, Donati G, Improta R, Rega N, Santoro F
Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches
J Phys Chem A (ISSN: 1089-5639, 1520-5215electronic), 2015; 119(21): 5426-5438.

Calce E, Vitale RM, Scaloni A, Amodeo P, De Luca S
Air oxidation method employed for the disulfide bond formation of natural and synthetic peptides
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2015; 47(8): 1507-1515.

Vincenzi M, Costantini S, Scala S, Tesauro D, Accardo A, Leone M, Colonna G, Guillon J, Portella L, Trotta AM, Ronga L, Rossi F
Conformational ensembles explored dynamically from disordered peptides targeting chemokine receptor CXCR4
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(6): 12159-12173.

Yousif AM, Minopoli M, Bifulco K, Ingangi V, Di Carluccio G, Merlino F, Motti ML, Grieco P, Carriero MV
Cyclization of the urokinase receptor-derived Ser-Arg-Ser-Arg-Tyr peptide generates a potent inhibitor of trans-endothelial migration of monocytes
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2015; 10(5): N/D-N/D.

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.

Carbonniere P, Pouchan C, Improta R
Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: An ab initio molecular dynamics study
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2015; 17(17): 11615-11626.

Milardi D, Pappalardo M
Molecular dynamics: New advances in drug discovery
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.

Lolicato F, Raudino A, Milardi D, La Rosa C
Resveratrol interferes with the aggregation of membrane-bound human-IAPP: A molecular dynamics study
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 92: 876-881.

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.

Benetti F, Biarnés X, Attanasio F, Giachin G, Rizzarelli E, Legname G
Structural determinants in prion protein folding and stability
J Mol Biol (ISSN: 0022-2836, 1089-8638, 0022-2836linking), 2014 Nov 11; 426(22): 3796-3810.

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), 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), 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.

Esposito L, Banyasz A, Douki T, Perron M, Markovitsi D, Improta R
Effect of C5-methylation of cytosine on the photoreactivity of DNA: A joint experimental and computational study of TCG trinucleotides
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 0002-7863print), 2014 Sep 6; 136(31): 10838-10841.

Balasco N, Pirone L, Smaldone G, Di Gaetano S, Esposito L, Pedone E, Vitagliano L
Molecular recognition of Cullin3 by KCTDs: Insights from experimental and computational investigations
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Jul; 1844(7): 1289-1298.

Tomasello MF, Sinopoli A, Attanasio F, Giuffrida ML, Campagna T, Milardi D, Pappalardo G
Molecular and cytotoxic properties of hIAPP17-29 and rIAPP17-29 fragments: A comparative study with the respective full-length parent polypeptides
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2014 Jun 23; 81: 442-455.

Ruggiero A, Dattelbaum JD, Staiano M, Berisio R, D'Auria S, Vitagliano L
A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2014 May 15; 9(5): e96560-e96560.

Basile L, Pappalardo M, Guccione S, Milardi D, Ramsay RR
Computational comparison of imidazoline association with the I2 binding site in human monoamine oxidases
J Chem Inf Model (ISSN: 1549-9596), 2014 Apr 28; 54(4): 1200-1207.

Merlino A, Russo Krauss I, Castellano I, Ruocco MR, Capasso A, De Vendittis E, Rossi B, Sica F
Structural and denaturation studies of two mutants of a cold adapted superoxide dismutase point to the importance of electrostatic interactions in protein stability
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014 Mar; 1844(3): 632-640.

Squeglia F, Bachert B, De Simone A, Lukomski S, Berisio R
The crystal structure of the streptococcal collagen-like protein 2 globular domain from invasive M3-type group a streptococcus shows significant similarity to immunomodulatory HIV protein gp41
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2014 Feb 21; 289(8): 5122-5133.

Palmieri M, Russo L, Malgieri G, Esposito S, Baglivo I, Rivellino A, Farina B, de Paola I, Zaccaro L, Milardi D, Isernia C, Pedone PV, Fattorusso R
Deciphering the zinc coordination properties of the prokaryotic zinc finger domain: The solution structure characterization of Ros87 H42A functional mutant
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2014 Feb; 131: 30-36.

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.

Forte G, Travaglia A, Magrì A, Satriano C, La Mendola D
Adsorption of NGF and BDNF derived peptides on gold surfaces
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(4): 1536-1544.

Lin L-L, Chen Y-Y, Chi M-C, Merlino A
Low resolution X-ray structure of γ-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(9): 1523-1529.

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
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2014; 16(5): 1868-1874.

Contursi P, Farina B, Pirone L, Fusco S, Russo L, Bartolucci S, Fattorusso R, Pedone E
Structural and functional studies of Stf76 from the Sulfolobus islandicus plasmid-virus pSSVx: a novel peculiar member of the winged helix-turn-helix transcription factor family
Nucleic Acids Res (ISSN: 0305-1048, 1362-4962), 2014; 42(9): 5993-6011.

Malgieri G, Palmieri M, Esposito S, Maione V, Russo L, Baglivo I, De Paola I, Milardi D, Diana D, Zaccaro L, Pedone PV, Fattorusso R, Isernia C
Zinc To Cadmium Replacement In The Prokaryotic Zinc-Finger Domain
Metallomics (ISSN: 1756-591x, 1756-5901, 1756-591xelectronic), 2013 Dec 18; 6(1): 96-104.

Cantisani M, Falanga A, Incoronato N, Russo L, De Simone A, Morelli G, Berisio R, Galdiero M, Galdiero S
Conformational modifications of gB from herpes simplex virus type 1 analyzed by synthetic peptides
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8366-8376.

Petruk AA, Varriale S, Coscia MR, Mazzarella L, Merlino A, Oreste U
The Structure Of The Cd3 Zeta Zeta Transmembrane Dimer In Popc And Raft-Like Lipid Bilayer: A Molecular Dynamics Study
Bba-Gen Subjects (ISSN: 0005-2736, 0006-3002e, 0005-2736print), 2013 Nov; 1828(11): 2637-2645.

Del Giudice I, Limauro D, Pedone E, Bartolucci S, Fiorentino G
A novel arsenate reductase from the bacterium Thermus thermophilus HB27: Its role in arsenic detoxification
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Oct; 1834(10): 2071-2079.

Alcides Petruk A, Vergara A, Estrin D, Merlino A
Molecular basis of the NO trans influence in quaternary T-state human hemoglobin: A computational study
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2013 Sep 2; 587(15): 2393-2398.

Squeglia F, Bachert B, Romano M, Lukomski S, Berisio R
Crystallization and preliminary X-ray crystallographic analysis of the variable domain of Scl2. 3, a streptococcal collagen-like protein from invasive M3-type Streptococcus pyogenes
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013 Sep; 69(9): 1023-1025.

Russo L, Raiola L, Campitiello MA, Magrì A, Fattorusso R, Malgieri G, Pappalardo G, La Mendola D, Isernia C
Probing the residual structure in avian prion hexarepeats by CD, NMR and MD techniques
Molecules (ISSN: 1420-3049, 1420-3049electronic, 1420-3049linking), 2013 Sep; 18(9): 11467-11484.

Correale S, Ruggiero A, Capparelli R, Pedone E, Berisio R
Structures of free and inhibited forms of the L, D-transpeptidase LdtMt1 from Mycobacterium tuberculosis
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Sep; 69(Pt9): 1697-1706.

Autiero I, Saviano M, Langella E
In silico investigation and targeting of amyloid beta oligomers of different size
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic), 2013 Aug; 9(8): 2118-2124.

McNeill A, Wu RM, Tzen KY, Aguiar PC, Arbelo JM, Barone P, Bhatia K, Barsottini O, Bonifati V, Bostantjopoulou S, Bressan R, Cossu G, Cortelli P, Felicio A, Ferraz HB, Herrera J, Houlden H, Hoexter M, Isla C, Lees A, Lorenzo-Betancor O, Mencacci NE, Pastor P, Pappata S, Pellecchia MT, Silveria-Moriyama L, Varrone A, Foltynie T, Schapira AH
Dopaminergic Neuronal Imaging in Genetic Parkinson's Disease: Insights into Pathogenesis
Plosone (ISSN: 1932-6203, 1932-6203electronic), 2013 Jul 23; 8(7): e69190-e69190.

Squeglia F, Romano M, Ruggiero A, Vitagliano L, De Simone A, Berisio R
Carbohydrate recognition by RpfB from mycobacterium tuberculosis unveiled by crystallographic and molecular dynamics analyses
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2013 Jun 4; 104(11): 2530-2539.

De Simonea A, Stanzione F, Marasco D, Vitagliano L, Esposito L
The Intrinsic Stability Of The Human Prion Beta-Sheet Region Investigated By Molecular Dynamics
Journal Of Biomolecular Structure & Dynamics, 2013 May 1; 31(5): 441-452.

Attanasio F, Convertino M, Magno A, Caflisch A, Corazza A, Haridas H, Esposito G, Cataldo S, Pignataro B, Milardi D, Rizzarelli E
Carnosine Inhibits Abeta(42) Aggregation By Perturbing The H-Bond Network In And Around The Central Hydrophobic Cluster
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2013 Mar 18; 14(5): 583-592.

Correale S, Ruggiero A, Pedone E, Berisio R
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of the l, d-transpeptidase LdtMt1 from Mycobacterium tuberculosis
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013 Mar 1; 69(3): 253-256.

Ruggiero A, Marchant J, Squeglia F, Makarov V, De Simone A, Berisio R
Molecular determinants of inactivation of the resuscitation promoting factor B from Mycobacterium tuberculosis
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 2013 Feb 1; 31(2): 195-205.

Marasco D, Ruggiero A, Vascotto C, Poletto M, Scognamiglio PL, Tell G, Vitagliano L
Role of mutual interactions in the chemical and thermal stability of nucleophosmin NPM1 domains
Biochemical And Biophysical Research Communications (ISSN: 0006-291x), 2013 Jan 11; 430(2): 523-528.

Causa F, Della Moglie R, Iaccino E, Mimmi S, Marasco D, Scognamiglio PL, Battista E, Palmieri C, Cosenza C, Sanguigno L, Quinto I, Scala G, Netti PA
Evolutionary screening and adsorption behavior of engineered M13 bacteriophage and derived dodecapeptide for selective decoration of gold interfaces
J Colloid Interface Sci (ISSN: 0021-9797, 1095-7103electronic, 0021-9797linking), 2013 Jan 1; 389(1): 220-229.

Pica A, Russo Krauss I, Castellano I, La Cara F, Graziano G, Sica F, Merlino A
Effect Of Nacl On The Conformational Stability Of The Thermophilic Gamma-Glutamyltranspeptidase From Geobacillus Thermodenitrificans: Implication For Globular Protein Halotolerance
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Jan; 1834(1): 149-157.

Pannuzzo M, Milardi D, Raudino A, Karttunen M, La Rosa C
Analytical model and multiscale simulations of Aβ peptide aggregation in lipid membranes: Towards a unifying description of conformational transitions, oligomerization and membrane damage
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2013; 15(23): 8940-8951.

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.

Lin LL, Merlino A
Heterogeneous nucleation helps the search for initial crystallization conditions of γ-glutamyl transpeptidase from Bacillus licheniformis
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2013; 69(6): 669-672.

Autiero I, Langella E, Saviano M
Insights Into The Mechanism Of Interaction Between Trehalose-Conjugated Beta-Sheet Breaker Peptides And Aβ(1-42) Fibrils By Molecular Dynamics Simulations
Molecular Biosystems (ISSN: 1742-206x, 1742-2206), 2013; 9(11): 2835-2841.

Picconi D, Avila Ferrer FJ, Improta R, Lami A, Santoro F
Quantum-classical effective-modes dynamics of the ππ * → nπ* decay in 9H-adenine. A quadratic vibronic coupling model
Faraday Discuss (ISSN: 1359-6640, 1359-6640print, 1359-6640linking), 2013; 163: 223-242.

Berisio R, Vitagliano L
Polyproline and triple helix motifs in Host-Pathogen recognition
Curr Protein Pept Sci (ISSN: 1389-2037), 2012 Dec; 13(8): 855-865.

Kaprelyants AS, Mukamolova GV, Ruggiero A, Makarov VA, Demina GR, Shleeva MO, Potapov VD, Shramko PA
Resuscitation-promoting Factors (Rpf): In Search of Inhibitors
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1026-1034.

Berisio R, Ciccarelli L, Squeglia F, De Simone A, Vitagliano L
Structural and Dynamic properties of incomplete immunoglobulin-like fold domains
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1045-1053.

Stanzione F, De Simone A,  Esposito L, Vitagliano L
Dynamical Properties of Steric Zipper Polymorphs Formed by a IAPP-Derived Peptide
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Sep; 19(8): 846-851.

Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
Interactions of two O-phosphorylresveratrol derivatives with model membranes
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986), 2012 May; 521(1-2): 111-116.

Ascione G, de Pascale D, De Santi C, Pedone C, Dathan NA, Monti SM
Native expression and purification of hormone-sensitive lipase from Psychrobacter sp. TA144 enhances protein stability and activity
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2012 Apr 13; 420(3): 542-546.

Caruso P, Causà M, Cimino P, Crescenzi O, D'Amore M, Improta R, Pavone M, Rega N
Effects of molecular dynamics and solvation on the electronic structure of molecular probes
Theor Chem Acc (ISSN: 1432-881x), 2012 Apr; 131(4): 1211-1212.

Pica A, Russo Krauss I, Castellano I, Rossi M, La Cara F, Graziano G, Sica F, Merlino A
Exploring The Unfolding Mechanism Of Gamma-Glutamyltranspeptidases: The Case Of The Thermophilic Enzyme From Geobacillus Thermodenitrificans
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2012 Apr; 1824(4): 571-577.

Balsamo A, Sannino F, Merlino A, Parrilli E, Tutino ML, Mazzarella L, Vergara A
Role of the tertiary and quaternary structure in the formation of bis-histidyl adducts in cold-adapted hemoglobins
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Apr; 94(4): 953-960.

Esposito C, Cantisani M, D'Auria G, Falcigno L, Pedone E, Galdiero S, Berisio R
Mapping key interactions in the dimerization process of HBHA from Mycobacterium tuberculosis, insights into bacterial agglutination
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2012 Mar 23; 586(6): 659-667.

Sandomenico A, Russo A, Palmieri G, Bergamo P, Gogliettino M, Falcigno L, Ruvo M
Small peptide inhibitors of acetyl-peptide hydrolase having an uncommon mechanism of inhibition and a stable bent conformation
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012 Mar 8; 55(5): 2102-2111.

Merlino A, Russo Krauss I, Rossi B, De Vendittis A, Marco S, De Vendittis E, Vergara A, Sica F
Identification of an active dimeric intermediate populated during the unfolding process of the cambialistic superoxide dismutase from Streptococcus mutans
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 Mar; 94(3): 768-775.

Esposito L, Ruggiero A, Masullo M, Ruocco MR, Lamberti A, Arcari P, Zagari A, Vitagliano L
Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability
J Struct Biol (ISSN: 1047-8477), 2012 Feb; 177(2): 506-512.

Langlois C, Del Gatto A, Arseneault G, Lafrance-vanasse J, De Simone M, Morse T, De Paola I, Lussier-price M, Legault P, Pedone C, Zaccaro L, Omichinski JG
Structure-based design of a potent artificial transactivation domain based on p53
J Am Chem Soc (ISSN: 1520-5126, 0002-2786, 0002-7863), 2012 Jan 25; 134(3): 1715-1723.

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.

Cantisani M, Vitiello M, Falanga A, Finamore E, Galdiero M, Galdiero S
Peptides complementary to the active loop of porin P2 from Haemophilus influenzae modulate its activity
Int J Nanomed (ISSN: 1178-2013, 1176-9114, 1178-2013electronic), 2012; 7: 2361-2371.

Satriano C, Fragalà ME, Forte G, Santoro AM, La Mendola D, Kasemo B
Surface adsorption of fibronectin-derived peptide fragments: The influence of electrostatics and hydrophobicity for endothelial cells adhesion
Soft Matter (ISSN: 1744-683x), 2012; 8(1): 53-56.

Biemann L, Kovalenko SA, Kleinermanns K, Mahrwald R, Markert M, Improta R
Excited state proton transfer is not involved in the ultrafast deactivation of Guanine-cytosine pair in solution
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2011 Dec 14; 133(49): 19664-19667.

Ruggiero A, Dattelbaum JD, Pennacchio A, Iozzino L, Staiano M, Luchansky MS, Der BS, Berisio R, D'Auria S, Vitagliano L
Crystallization and preliminary X-ray crystallographic analysis of ligand-free and arginine-bound forms of Thermotoga maritima arginine-binding protein
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2011 Nov 1; 67(11): 1462-1465.

Arena G, Fattorusso R, Grasso G, Grasso GI, Isernia C, Malgieri G, Milardi D, Rizzarelli E
Zinc(II) complexes of ubiquitin: speciation, affinity and binding features
Chemistry (ISSN: 1521-3765, 0947-6539, 1521-3765electronic), 2011 Oct 4; 17(41): 11596-11603.

Vitagliano L, Berisio R, De Simone A
Role of hydration in collagen recognition by bacterial adhesins
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2011 May 4; 100(9): 2253-2261.

Scognamiglio PL, Doti N, Grieco P, Pedone C, Ruvo M, Marasco D
Discovery Of Small Peptide Antagonists Of Ped/Pea15-D4alpha Interaction From Simplified Combinatorial Libraries
Chem Biol Drug Des Chemical Biology And Drug Design (ISSN: 1747-0277, 1747-0285), 2011 May; 77(5): 319-327.

Contursi P, D'Ambrosio K, Pirone L, Pedone E, Aucelli T, She Q, De Simone G, Bartolucci S
C68 from the Sulfolobus islandicus plasmid-virus pSSVx is a novel member of the AbrB-like transcription factor family
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 157-166.

Ruggiero A, Squeglia F, Marasco D, Marchetti R, Molinaro A, Berisio R
X-ray structural studies of the entire extracellular region of the serine/threonine kinase PrkC from Staphylococcus aureus
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 33-41.

Basile A, Del Gatto A, Diana D, Di Stasi R, Falco A, Festa M, Rosati A, Barbieri A, Franco R, Arra C, Pedone C, Fattorusso R, Turco MC, D'Andrea LD
Characterization of a designed vascular endothelial growth factor receptor antagonist helical peptide with antiangiogenic activity in vivo
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2011 Mar 10; 54(5): 1391-1400.

Boechi L, Marti MA, Vergara A, Sica F, Mazzarella L, Estrin DA, Merlino A
Protonation of Histidine 55 Affects the Oxygen Access to Heme in the Alpha Chain of the Hemoglobin from the Antarctic Fish Trematomus bernacchii
Iubmb Life (ISSN: 1521-6543, 1521-6551), 2011 Mar; 63(3): 175-182.

Ruggiero A, Squeglia F, Pirone L, Correale S, Berisio R
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a major fragment of the resuscitation-promoting factor RpfB from Mycobacterium tuberculosis
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2011 Jan 1; 67(1): 164-168.

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
Eur Biophys J, 2011 Jan; 40(1): 1-12.

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
Molecular Phylogenetics And Evolution (ISSN: 1055-7903), 2010 Dec; 57(3): 1238-1244.

Merlino A, Russo Krauss I, Castellano I, De Vendittis E, Rossi B, Conte M, Vergara A, Sica F
Structure and flexibility in cold-adapted iron superoxide dismutases: The case of the enzyme isolated from Pseudoalteromonas haloplanktis
J Struct Biol (ISSN: 1047-8477), 2010 Dec; 172(3): 343-352.

D'Auria G, Esposito C, Falcigno L, Calvanese L, Iaccarino E, Ruggiero A, Pedone C, Pedone E, Berisio R
Dynamical properties of cold shock protein A from Mycobacterium tuberculosis
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2010 Nov 26; 402(4): 693-698.

Pedone E, Limauro D, D'Ambrosio K, De Simone G, Bartolucci S
Multiple catalytically active thioredoxin folds: a winning strategy for many functions
Cell Mol Life Sci Cellular And Molecular Life Sciences (ISSN: 1420-682x), 2010 Nov; 67(22): 3797-3814.

Stanzione F, Esposito L, Paladino A, Pedone C, Morelli G, Vitagliano L
Role of the conformational versatility of the neurotrophin N-terminal regions in their recognition by Trk receptors
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2010 Oct 6; 99(7): 2273-2278.

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.

Ruggiero A, Marasco D, Squeglia F, Soldini S, Pedone E, Pedone C, Berisio R
Structure and functional regulation of RipA, a mycobacterial enzyme essential for daughter cell separation
Structure (ISSN: 0969-2126, 1878-4186), 2010 Sep 8; 18(9): 1184-1190.

Changenet-Barret P, Emanuele E, Gustavsson T, Improta R, Kotlyar AB, Markovitsi D, Vaya I, Zakrzewska K, Zikich D
Optical properties of guanine nanowires: Experimental and theoretical study
J Phys Chem C (ISSN: 1932-7447), 2010 Sep 2; 114(34): 14339-14346.

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 Chemical Biology And Drug Design (ISSN: 1747-0277, 1747-0285), 2010 Jul; 76(1): 10-16.

Di Fiore A, Monti SM, Innocenti A, Winum J-Y, De Simone G, Supuran CT
Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Jun 15; 20(12): 3601-3605.

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
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2010 May 27; 114(20): 7002-7008.

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.

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
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 May; 93(5): 434-441.

Pennacchio A, Giordano A, Esposito L, Langella E, Rossi M, Raia CA
Insight into the stereospecificity of short-chain Thermus thermophilus alcohol dehydrogenase showing pro-S hydride transfer and Prelog enantioselectivity
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Apr; 17(4): 437-443.

Bruni AC, Bernardi L, Colao R, Rubino E, Smirne N, Frangipane F, Terni B, Curcio SA, Mirabelli M, Clodomiro A, Di Lorenzo R, Maletta R, Anfossi M, Gallo M, Geracitano S, Tomaino C, Muraca MG, Leotta A, Lio SG, Pinessi L, Rainero I, Sorbi S, Nee L, Milan G, Pappata S, Postiglione A, Abbamondi N, Forloni G, St George Hyslop P, Rogaeva E, Bugiani O, Giaccone G, Foncin JF, Spillantini MG, Puccio G
Worldwide distribution of PSEN1 Met146Leu mutation: A large variability for a founder mutation
Neurology (ISSN: 0028-3878, 1526-632x, 1526-632xelectronic), 2010 Mar 9; 74(10): 798-806.

Severino V, Chambery A, Vitiello M, Cantisani M, Galdiero S, Galdiero M, Malorni L, Di Maro A, Parente A
Proteomic Analysis of Human U937 Cell Line Activation Mediated by Haemophilus influenzae Type b P2 Porin and Its Surface-Exposed Loop
J Proteome Res (ISSN: 1535-3893), 2010 Feb; 9(2): 1050-1062.

Ruggiero A, Squeglia F, Esposito C, Marasco D, Pedone E, Pedone C, Berisio R
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of the resuscitation promoting factor interacting protein RipA from M. tuberculosis
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2010 Jan; 17(1): 70-73.

Luchansky MS, Der BS, D'Auria S, Pocsfalvi G, Iozzino L, Marasco D, Dattelbaum JD
Amino acid transport in thermophiles: characterization of an arginine-binding protein in Thermotoga maritima
Molecular Biosystems (ISSN: 1742-206x), 2010; 6(1): 142-151.

Sciacca MFM, Pappalardo M, Attanasio F, Milardi D, La Rosa C, Grasso DM
Are fibril growth and membrane damage linked processes? An experimental and computational study of IAPP(12-18) and IAPP(21-27) peptides
New J Chem (ISSN: 1144-0546), 2010; 34(2): 200-207.

Milardi D, Pappalardo M, Grasso DM, La Rosa C
Unveiling the unfolding pathway of FALS associated G37R SOD1 mutant: A computational study
Mol Biosyst (ISSN: 1742-206x), 2010; 6(6): 1032-1039.

Vitagliano L, Stanzione F, De Simone A, Esposito L
Dynamics and Stability of Amyloid-Like Steric Zipper Assemblies with Hydrophobic Dry Interfaces
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1161-1171.

Merlino A, Russo Krauss I, Perillo M, Mattia CA, Ercole C, Picone D, Vergara A, Sica F
Toward an Antitumor Form of Bovine Pancreatic Ribonuclease: The Crystal Structure of Three Noncovalent Dimeric Mutants
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1029-1037.

D'Ambrosio K, Limauro D, Pedone E, Galdi I, Pedone C, Bartolucci S, De Simone G
Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Sep; 76(4): 995-1006.

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
Chemphyschem (ISSN: 1439-7641, 1439-4235, 1439-7641electronic), 2009 Jul 13; 10(9-10): 1500-1510.

Di Fiore A, Fiorentino G, Vitale RM, Ronca R, Amodeo P, Pedone C, Bartolucci S, De Simone G
Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins
J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic), 2009 May 8; 388(3): 559-569.

Giordano D, Boechi L, Vergara A, Marti MA, Samuni U, Dantsker D, Grassi L, Estrin DA, Friedman JM, Mazzarella L, Di Prisco G, Verde C
The hemoglobins of the sub-Antarctic fish Cottoperca gobio, a phyletically basal species - oxygen-binding equilibria, kinetics and molecular dynamics
Febs Journal (ISSN: 1742-464x), 2009 Apr; 276(8): 2266-2277.

De Rosa A, Criscuolo C, Mancini P, De Martino M, Giordano IA, Pappata S, Filla A, De Michele G
Genetic screening for LRRK2 gene G2019S mutation in Parkinson's disease patients from Southern Italy
Parkinsonism Relat D (ISSN: 1353-8020print, 1353-8020linking, 1873-5126electronic), 2009 Mar; 15(3): 242-244.

Vitagliano L, Ruggiero A, Pedone C, Berisio R
Molecular dynamics studies of the P pilus rod subunit PapA
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 192-199.

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.

Ruggiero A, Tizzano B, Pedone E, Pedone C, Wilmanns M, Berisio R
Crystal Structure of the Resuscitation-Promoting Factor (Delta DUF)RpfB from M. tuberculosis
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2009 Jan 9; 385(1): 153-162.

Palmieri G, Catara G, Saviano M, Langella E, Gogliettino M, Rossi M
First archaeal PEPB-serine protease inhibitor from sulfolobus solfataricus with noncanonical amino acid sequence in the reactive-site loop
J Proteome Res (ISSN: 1535-3893), 2009 Jan; 8(1): 327-334.

Merlino A, Avella G, Di Gaetano S, Arciello A, Piccoli R, Mazzarella L, Sica F
Structural features for the mechanism of antitumor action of a dimeric human pancreatic ribonuclease variant
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic, 0961-8368linking), 2009 Jan; 18(1): 50-57.

Vitagliano L, Esposito L, Pedone C, De Simone A
Stability of single sheet GNNQQNY aggregates analyzed by replica exchange molecular dynamics: antiparallel versus parallel association
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Dec 26; 377(4): 1036-1041.

La Mendola D, Pietropaolo A, Pappalardo G, Zannoni C, Rizzarelli E
Prion proteins leading to neurodegeneration
Current Alzheimer Research (ISSN: 1567-2050), 2008 Dec; 5(6): 579-590.

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
Chem Phys Lett (ISSN: 0009-2614), 2008 Oct 1; 463(4-6): 396-399.

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.

De Simone A, Esposito L, Pedone C, Vitagliano L
Insights into stability and toxicity of amyloid-like oligomers by replica exchange molecular dynamics analyses
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 Sep 15; 95(4): 1965-1973.

Vitagliano L, Ruggiero A, Pedone C, Berisio R
Conformational states and association mechanism of Yersinia pestis Caf1 subunits
Biochem Biophys Res Commun (ISSN: 0006-291x, 1090-2104, 1090-2104electronic), 2008 Sep 8; 372(4): 804-810.

Dudar GK, D'Andrea LD, Di Stasi R, Pedone C, Wallace JL
A vascular endothelial growth factor mimetic accelerates gastric ulcer healing in an iNOS-dependent manner
Am J Physiol Gastrointest Liver Physiol American Journal Of Physiology Gastrointestinal And Liver Physiology (ISSN: 0193-1857), 2008 Sep; 295(2): G374-G381.

De Simone A, Vitagliano L, Berisio R
Role of hydration in collagen triple helix stabilization
Biochem Biophys Res Commun (ISSN: 0006-291x), 2008 Jul 18; 372(1): 121-125.

Esposito C, Pethoukov MV, Svergun DI, Ruggiero A, Pedone C, Pedone E, Berisio R
Evidence for an elongated dimeric structure of heparin-binding hemagglutinin from Mycobacterium tuberculosis
J Bacteriol Journal Of Bacteriology (ISSN: 0021-9193, 1098-5530), 2008 Jul; 190(13): 4749-4753.

D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT
Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.

Esposito L, Paladino A, Pedone C, Vitagliano L
Insights into structure, stability, and toxicity of monomeric and aggregated polyglutamine models from molecular dynamics simulations
Biophysical Journal (ISSN: 1542-0086, 0006-3495), 2008 May 15; 94(10): 4031-4040.

Vitiello M, Galdiero S, D'Isanto M, D'Amico M, Di Filippo C, Cantisani M, Galdiero M, Pedone C
Pathophysiological changes of gram-negative bacterial infection can be reproduced by a synthetic peptide mimicking loop L7 sequence of Haemophilus influenzae porin
Microbes And Infection / Institut Pasteur (ISSN: 1286-4579), 2008 May; 10(6): 657-663.

Limauro D, Pedone E, Galdi I, Bartolucci S
Peroxiredoxins as cellular guardians in Sulfolobus solfataricus - characterization of Bcp1, Bcp3 and Bcp4
Febs Journal (ISSN: 1742-464x), 2008 May; 275(9): 2067-2077.

Granata V, Graziano G, Ruggiero A, Raimo G, Masullo M, Arcari P, Vitagliano L, Zagari A
Stability Against Temperature Of Sulfolobus Solfataricus Elongation Factor 1 Alpha, A Multi-Domain Protein
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2008 Apr; 1784(4): 573-581.

De Simone A, Pedone C, Vitagliano L
Structure, dynamics, and stability of assemblies of the human prion fragment SNQNNF
Biochem Biophys Res Commun (ISSN: 1090-2104, 0006-291x, 1090-2104electronic), 2008 Feb 15; 366(3): 800-806.

Merlino A, Ercole C, Picone D, Pizzo E, Mazzarella L, Sica F
The buried diversity of bovine seminal ribonuclease: Shape and cytotoxicity of the swapped non-covalent form of the enzyme
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2008 Feb 15; 376(2): 427-437.

Prato S, Vitale RM, Contursi P, Lipps G, Saviano M, Rossi M, Bartolucci S
Molecular modeling and functional characterization of the monomeric primase-polymerase domain from the Sulfolobus solfataricus plasmid pIT3
Febs J (ISSN: 1742-464x), 2008; 275(17): 4389-4402.

Marchelli R, Saviano M, Licandro E, Spoto G, Borgatti M, Gambari R
PNAs targeting the "RNA world": Micro RNA next?
Minerva Biotecnol (ISSN: 1120-4826), 2008; 20(4): 183-188.

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.

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
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 89(4): 284-291.

Giordano D, Vergara A, Lee HC, Peisach J, Balestrieri M, Mazzarella L, Parisi E, Di Priseo G, Verde C
Hemoglobin structure/function and globin-gene evolution in the Arctic fish Liparis tunicatus
Gene (ISSN: 0378-1119), 2007 Dec 30; 406(1-2): 58-68.

Manetto GD, Grasso DM, Milardi D, Pappalardo M, Guzzi R, Sportelli L, Verbeet MP, Canters GW, La Rosa C
The role played by the α-helix in the unfolding pathway and stability of azurin: Switching between hierarchic and nonhierarchic folding
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-7633electronic), 2007 Nov 5; 8(16): 1941-1949.

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.

Ruggiero A, Tizzano B, Geerlof A, Pedone E, Pedone C, Wilmanns M, Berisio R
Expression, purification, crystallization and preliminary X-ray crystallographic analysis of a resuscitation-promoting factor from Mycobacterium tuberculosis
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2007 Oct 1; 63(10): 870-873.

Pastore C, Franzese M, Sica F, Temussi P, Pastore A
Understanding the binding properties of an unusual metal-binding protein - a study of bacterial frataxin
Febs Journal (ISSN: 1742-464x), 2007 Sep; 274(16): 4199-4210.

Pietropaolo A, Raiola L, Muccioli L, Tiberio G, Zannoni C, Fattorusso R, Isernia C, La Mendola D, Pappalardo G, Rizzarelli E
An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution
Chem Phys Lett (ISSN: 0009-2614), 2007 Jul 6; 442(1-3): 110-118.

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
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.

Vitagliano L, Ruggiero A, Pedone C, Berisio R
A Molecular Dynamics Study of Pilus Subunits: Insights into Pilus Biogenesis
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2007 Apr 6; 367(4): 935-941.

Attanasio F, Cascio C, Fisichella S, Nicoletti VG, Pignataro B, Savarino A, Rizzarelli E
Trehalose effects on alpha-crystallin aggregates
Biochem Biophys Res Commun (ISSN: 0006-291x, 0006-291xlinking), 2007 Mar 23; 354(4): 899-905.

Ronga L, Langella E, Palladino P, Marasco D, Tizzano B, Saviano M, Pedone C, Improta R, Ruvo M
Does Tetracycline Bind Helix 2 Of Prion? An Integrated Spectroscopical And Computational Study Of The Interaction Between The Antibiotic And Alpha Helix 2 Human Prion Protein Fragments
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2007 Feb 15; 66(3): 707-715.

Galdiero S, Galdiero M, Pedone C
Beta-Barrel Membrane Bacterial Proteins: Structure, Function, Assembly And Interaction With Lipids
Curr Protein Pept Sci (ISSN: 1389-2037), 2007 Feb; 8(1): 63-82.

Cucinotta V, Giuffrida A, Grasso G, Maccarrone G, Messina M, Vecchio G
High selectivity in new chiral separations of dansyl amino acids by cyclodextrin derivatives in electrokinetic chromatography
J Chromatogr A (ISSN: 0021-9673), 2007; 1155(2): 172-179.

Santoro F, Barone V, Improta R
Influence of base stacking on excited-state behavior of polyadenine in water, based on time-dependent density functional calculations
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2007; 104(24): 9931-9936.

Pappalardo M, Milardi D, Grasso D, La Rosa C
Steered molecular dynamics studies reveal different unfolding pathways of prions from mammalian and non-mammalian species
New J Chem (ISSN: 1144-0546), 2007; 31(6): 901-905.

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
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.

Menchise V, De Simone G, Di Fiore A, Scozzafava A, Supuran CT
Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1, 3, 4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)1, 3, 4-thiadiazole-2-sulfon amide to human isoform II
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Dec 15; 16(24): 6204-6208.

Di Gaetano S, Guglielmi F, Arciello A, Mangione P, Monti M, Pagnozzi D, Raimondi S, Giorgetti S, Orru S, Canale C, Pucci P, Dobson CM, Bellotti V, Piccoli R
Recombinant amyloidogenic domain of ApoA-I: analysis of its fibrillogenic potential
Biochemical And Biophysical Research Communications (ISSN: 0006-291x, 0006-291xprint), 2006 Dec 8; 351(1): 223-228.

Saporito A, Marasco D, Chambery A, Botti P, Monti SM, Pedone C, Ruvo M
The chemical synthesis of the GstI protein by NCL on a X-Met site
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2006 Dec 5; 83(5): 508-518.

Pedone E, Limauro D, D'Alterio R, Rossi M, Bartolucci S
Characterization of a multifunctional protein disulfide oxidoreductase from Sulfolobus solfataricus
Febs Journal (ISSN: 1742-464x), 2006 Dec; 273(23): 5407-5420.

Dalla Bona A, Formaggio F, Peggion C, Kaptein B, Broxterman Quirinus B, Galdiero S, Galdiero M, Vitiello M, Benedetti E, Toniolo C
Synthesis, conformation, and bioactivity of novel analogues of the antiviral lipopeptide halovir
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 748-757.

Berisio R, Corti N, Pfister P, Yonath A, Böttger EC
23S rRNA 2058A→G alteration mediates ketolide resistance in combination with deletion in L22
Antimicrob Agents Ch (ISSN: 0066-4804, 1098-6596), 2006 Nov; 50(11): 3816-3823.

Sciacca MFM, Milardi D, Pappalardo M, La Rosa C, Grasso DM
Role of electrostatics in the thermal stability of ubiquitin: A combined DSC and MM study
Journal Of Thermal Analysis And Calorimetry (ISSN: 1388-6150), 2006 Nov; 86(2): 311-314.

Esposito S, Baglivo I, Malgieri G, Russo L, Zaccaro L, D'Andrea LD, Mammucari M, Di Blasio B, Isernia C, Fattorusso R, Pedone PV
A novel type of zinc finger DNA binding domain in the Agrobacterium tumefaciens transcriptional regulator Ros
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Sep 29; 45(34): 10394-10405.

De Simone G, Vitale RM, Di Fiore A, Pedone C, Scozzafava A, Montero JL, Winum JY, Supuran CT
Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Sep 7; 49(18): 5544-5551.

Esposito L, Pedone C, Vitagliano L
Molecular dynamics analyses of cross-beta-spine steric zipper models: beta-sheet twisting and aggregation
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2006 Sep 1; 103(31): 11533-11538.

Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
Femtosecond study on the isomerization dynamics of NK88. I. Ground-state dynamics after photoexcitation
J Chem Phys (ISSN: 0021-9606, 0021-9606print, 0897-690online), 2006 Jul 28; 125(4): 44512-44544.

Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.

Gustavsson T, Sarkar N, Lazzarotto E, Markovitsi D, Barone V, Improta R
Solvent effect on the singlet excited-state dynamics of 5-fluorouracil in acetonitrile as compared with water
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jul 6; 110(26): 12843-12847.

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
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jul 1; 64(1): 167-177.

Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT
Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jun 28; 128(25): 8329-8335.

Merlino A, Esposito L, Vitagliano L
Polyglutamine Repeats And Beta-Helix Structure: Molecular Dynamics Study
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jun 1; 63(4): 918-927.

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
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Apr 11; 45(14): 4491-4501.

Mazzarella L, Bonomi G, Lubrano MC, Merlino A, Riccio A, Vergara A, Vitagliano L, Verde C, Di Prisco G
Minimal structural requirements for root effect: Crystal structure of the cathodic hemoglobin isolated from the Antarctic fish Trematomus newnesi
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Feb 1; 62(2): 316-321.

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.

Limauro D, Pedone E, Pirone L, Bartolucci S
Identification and characterization of 1-Cys peroxiredoxin from Sulfolobus solfataricus and its involvement in the response to oxidative stress
Febs Journal (ISSN: 1742-464x), 2006 Feb; 273(4): 721-731.

D'Andrea LD, Del Gatto A, Pedone C, Benedetti E
Peptide-based molecules in angiogenesis
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285, 1747-0277linking), 2006 Feb; 67(2): 115-126.

Granata V, Graziano G, Ruggiero A, Raimo G, Masullo M, Arcari P, Vitagliano L, Zagari A
Chemical Denaturation Of The Elongation Factor 1 Alpha Isolated From The Hyperthermophilic Archaeon Sulfolobus Solfataricus
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Jan 24; 45(3): 719-726.

Di Fiore A, Pedone C, D'Ambrosio K, Scozzafava A, De Simone G, Supuran CT
Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II 'selective' inhibitor celecoxib
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Jan 15; 16(2): 437-442.

Barone V, De Rienzo F, Langella E, Menziani MC, Rega N, Sola M
A computational protocol to probe the role of solvation effects on the reduction potential of azurin mutants
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2006 Jan 1; 62(1): 262-269.

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
J Proteome Res (ISSN: 1535-3893), 2005 Nov; 4(6): 1972-1980.

Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT
Carbonic anhydrase inhibitors: Stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.

Bucci E, Vitagliano L, Barone R, Sorrentino S, D'Alessio G, Graziano G
On the thermal stability of the two dimeric forms of ribonuclease
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2005 Jul 1; 116(2): 89-95.

Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.

Esposito L, Daggett V
Insight into ribonuclease A domain swapping by molecular dynamics unfolding simulations
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2005 Mar 8; 44(9): 3358-3368.

La Rosa C, Milardi D, Amato E, Pappalardo M, Grasso D
Molecular mechanism of the inhibition of cytochrome c aggregation by Phe-Gly
Arch Biochem Biophys (ISSN: 0003-9861), 2005 Mar 1; 435(1): 182-189.

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
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2005 Mar; 88(3): 2003-2012.

Esposito G, Vitagliano L, Cevenini A, Amelio T, Zagari A, Salvatore F
Unraveling the structural and functional features of an aldolase A mutant involved in the hemolytic anemia and severe rhabdomyolysis reported in a child
Haematologica (ISSN: 0006-4971, 0006-6497, 0390-6078), 2005 Jan 15; 105(2): 905-906.

Zubrzak P, Banas A, Kaczmarek K, Leplawy MT, Sochacki M, Kowalski ML, Szkudlinska B, Zabrocki J, Di Lello P, Isernia C, Saviano M, Pedone C, Benedetti E
Analogues of cyclolinopeptide A containing alpha-hydroxymethyl amino acid residues
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2005; 80(2-3): 347-356.

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
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Dec; 87(6): 3623-3632.

D'Ambrosio K, De Simone G, Pedone E, Rossi M, Bartolucci S, Pedone C
Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aquifex aeolicus
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2004 Nov; 60(11): 2076-2077.

Borgatti M, Finotti A, Romanelli A, Saviano M, Bianchi N, Lampronti I, Lambertini E, Penolazzi L, Nastruzzi C, Mischiati C, Piva R, Pedone C, Gambari R
Peptide nucleic acids (PNA)-DNA chimeras targeting transcription factors as a tool to modify gene expression
Curr Drug Targets (ISSN: 1389-4501), 2004 Nov; 5(8): 735-744.

Arena G, Bonomo RP, Contino A, Sgarlata C, Spoto G, Tabbì G
Influence of the coordination geometry on the physicochemical properties of a copper(II) complex with a tailor-made calixarene-based ligand bearing dipyridyl pendants. An ESR, UV-Vis and CV study
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9234electronic), 2004 Oct 21; (20): 3205-3211.

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
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2004 Sep 15; 56(3): 430-448.

Pappalardo M, Milardi D, La Rosa C, Zannoni C, Rizzarelli E, Grasso D
A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment
Chem Phys Lett (ISSN: 0009-2614), 2004 Jun 1; 390(4-6): 511-516.

Galdiero S, Gouaux E
High Resolution Crystallographic Studies Of Alpha-Hemolysin-Phospholipid Complexes Define Heptamer-Lipid Head Group Interactions: Implication For Understanding Protein-Lipid Interactions
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2004 Jun; 13(6): 1503-1511.

Leone M, Di Lello P, Ohlenschläger O, Pedone E, Bartolucci S, Rossi M, Di Blasio B, Pedone C, Saviano M, Isernia C, Fattorusso R
Solution structure and backbone dynamics of the K18G/R82E Alicyclobacillus acidocaldarius thioredoxin mutant: A molecular analysis of its reduced thermal stability
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2004 May 25; 43(20): 6043-6058.

Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
Dynamic properties of the N-terminal swapped dimer of ribonuclease
Biophysical Journal (ISSN: 0006-3495, 1542-0086), 2004 Apr; 86(4): 2383-2391.

Improta R, Barone V
Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.

Musumeci D, Roviello  GN, Sica D
The oxidation of Δ2, Δ2, 4 and Δ4, 6 steroids with RuO4
Steroids (ISSN: 0039-128x), 2004 Mar; 69(3): 173-179.

Grasso D, Milardi D, La Rosa C, Rizzarelli E
The different role of Cu++ and Zn++ ions in affecting the interaction of prion peptide PrP106-126 with model membranes
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2004 Jan 21; 10(2): 246-247.

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.

Ohlenschlager O, Wohnert J, Bucci E, Seitz S, Hafner S, Ramachandran R, Zell R, Gorlach M
The Structure of the Stemloop D Subdomain of Coxsackievirus B3 Cloverleaf RNA and Its Interaction with the Proteinase 3C
Structure (ISSN: 0969-2126, 1878-4186), 2004; 12(2): 237-248.

Esposito L, Bruno I, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Crystal structure of a ternary complex of the alcohol dehydrogenase from Sulfolobus solfataricus
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Dec 16; 42(49): 14397-14407.

Merlino A, Vitagliano L, Ceruso MA, Mazzarella L
Subtle functional collective motions in pancreatic-like ribonucleases: From ribonuclease A to angiogenin
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2003 Oct 1; 53(1): 101-110.

Pedone E, Bartolucci S, Rossi M, Pierfederici FM, Scire A, Cacciamani T, Tanfani F
Structural and thermal stability analysis of Escherichia coli and Alicyclobacillus acidocaldarius thioredoxin revealed a molten globule-like state in thermal denaturation pathway of the proteins: an infrared spectroscopic study
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2003 Sep 1; 373: 875-883.

Bashan A, Zarivach R, Schluenzen F, Agmon I, Harms J, Auerbach T, Baram D, Berisio R, Bartels H, Hansen HAS, Fucini P, Wilson D, Peretz M, Kessler M, Yonath A
Ribosomal crystallography: Peptide bond formation and its inhibition
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2003 Sep; 70(1): 19-41.

Galdiero S, Capasso D, Vitiello M, D'Isanto M, Pedone C, Galdiero M
Protein P2 from Haemophilus influenzae: The role of its surface exposed loops on the mitogen-activated protein kinase cascade
Infection And Immunity (ISSN: 0019-9567), 2003 May; 71(5): 2798-2809.

Pappalardo M, Milardi D, Grasso DM, La Rosa C
Free energy perturbation and molecular dynamics calculations of copper binding to azurin
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2003 Apr 30; 24(6): 779-785.

De Luca S, Ragone R, Bracco C, Digilio G, Tesauro D, Saviano M, Pedone C, Morelli G
The role of segment 32-47 of cholecystokinin receptor type A in CCK8 binding: Synthesis, nuclear magnetic resonance, circular dichroism and fluorescence studies
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2003 Mar; 9(3): 156-169.

Bashan A, Agmon I, Zarivach R, Schluenzen F, Harms J, Berisio R, Bartels H, Franceschi F, Auerbach T, Hansen HAS, Kossoy E, Kessler M, Yonath A
Structural basis of the ribosomal machinery for peptide bond formation, translocation, and nascent chain progression
Mol Cell (ISSN: 1097-2765, 1097-4164), 2003 Jan; 11(1): 91-102.

Grasso D, Milardi D, Guantieri V, La Rosa C, Rizzarelli E
Interaction of prion peptide PrP 180-193 with DPPC model membranes: A thermodynamic study
New J Chem (ISSN: 1144-0546), 2003; 27(2): 359-364.

Menziani MC, De Benedetti PG, Langella E, Barone V
Seeking for binding determinants of the prion protein to human plasminogen
Mol Phys (ISSN: 0026-8976), 2003; 101(17): 2763-2773.

Merlino A, Vitagliano L, Ceruso M, Di Nola A, Mazzarella L
Global and local motions in ribonuclease A: A molecular dynamics study
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2002 Nov 15; 65(4): 274-283.

Esposito G, Vitagliano L, Santamaria R, Viola A, Zagari A, Salvatore F
Structural and functional analysis of aldolase B mutants related to hereditary fructose intolerance
Febs Lett (ISSN: 0014-5793, 0014-5793print, 1873-3468electronic), 2002 Nov 6; 531(2): 152-156.

Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.

Oliva R, Leone M, Falcigno L, D'Auria G, Dettin M, Scarinci C, Di Bello C, Paolillo L
Structural investigation of the HIV-1 envelope glycoprotein gp160 cleavage site
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2002 Mar 15; 8(6): 1467-1473.

Vitagliano L, Merlino A, Zagari A, Mazzarella L
Reversible substrate-induced domain motions in ribonuclease
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2002 Jan 1; 46(1): 97-104.

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
Eur J Biochem (ISSN: 0014-2956, 0014-2956print, 0014-2956linking), 2001 Dec; 268(23): 6066-6075.

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
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.

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
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001 Jul; 7(7): 386-394.

Romanelli A, Garella I, Menchise V, Iacovino R, Saviano M, Montesarchio D, Didierjean C, Lello PD, Rossi F, Benedetti E
Crystal-state conformation of Cα, α-dialkylated peptides containing chiral β-homo-residues
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001; 7(1): 15-26.

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.

Oliva R, Falcigno L, D'Auria G, Zanotti G, Paolillo L
Conformation and calcium-binding properties of a bicyclic nonapeptide
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 27-36.

Lombardi A, D'Agostino B, Nastri F, D'Andrea LD, Filippelli A, Falciani M, Rossi F, Pavone V
A novel super-potent neurokinin A receptor antagonist containing dehydroalanine
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894xprint, 0960-894xlinking), 1998 May 19; 8(10): 1153-1156.

Pavone V, Lombardi A, Saviano M, Nastri F, Zaccaro L, Maglio O, Pedone C, Omote Y, Yamanaka Y, Yamada T
Conformational Behaviour Of C (alpha, Alpha)-Diphenylglycine: Folded Vs. Extended Structures In Dphig-Containing Tripeptides
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 1998 Feb; 4(1): 21-32.

Lombardi A, D'Auria G, Maglio O, Nastri F, Quartara L, Pedone C, Pavone V
A novel rigid β-turn molecular scaffold
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 1998; 120(24): 5879-5886.

Benedetti E, Iacovino R, Pedone C, Rossi F, Saviano M, Isernia C, Montesarchio D, DeNapoli L, Piccialli G
β-Amino acid residues: Conformational characterization of an N- and C-protected homo-β-(S)-leucine
Int J Pept Res Ther (ISSN: 0929-5666, 1573-3149), 1997 Jun; 4(3): 129-134.

Crisma M, Formaggio F, Valle G, Toniolo C, Saviano M, Iacovino R, Zaccaro L, Benedetti E
Experimental evidence at atomic resolution for intramolecular N- H···π (phenyl) interactions in a family of amino acid derivatives
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(1): 1-6.

D'Andrea LD, Mazzeo M, Isernia C, Rossi F, Saviano M, Gallo P, Paolillo L, Pedone C
Solution conformational preferences of a peptidic analogue of a natural macrolide
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1997; 42(3): 349-361.

Brunetti A, Alfano B, Soricelli A, Tedeschi E, Mainolfi C, Covelli EM, Aloj L, Panico M, Bazzicalupo L, Salvatore M
Functional characterization of brain tumors: An overview of the potential clinical value
Nucl Med Biol (ISSN: 0969-8051, 0883-2897), 1996 Sep; 23(6): 699-715.

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
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1996; 40(5): 465-478.

Di Blasio B, Saviano M, Del Duca V, De Simone G, Rossi F, Pedone C, Benedetti E, Lorenzi GP
CONFORMATIONAL STUDIES OF HETEROCHIRAL PEPTIDES WITH DIASTEREOISOMERIC RESIDUES - CRYSTAL AND MOLECULAR-STRUCTURES OF LINEAR DIPEPTIDES DERIVED FROM LEUCINE, ISOLEUCINE, AND ALLO-ISOLEUCINE
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1995 Oct; 36(4): 401-408.

Pavone V, Lombardi A, Saviano M, Di Blasio B, Nastri F, Fattorusso R, Zaccaro L, Maglio O, Yamada T, Omote Y
Mixed conformation in C(α, α)-disubstituted tripeptides: X-ray crystal structures of Z-Aib-Dph-Gly-OMe and Bz-Dph-Dph-Gly-OMe
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Dec; 34(12): 1595-1604.

Pavone V, Lombardi A, Saviano M, Nastri F, Fattorusso R, Maglio O, Isernia C, Paolillo L, Pedone C
β-alanine containing cyclic peptides with turned structure: The 'pseudo type II β-turn. ' VI
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Nov; 34(11): 1517-1526.

Rossi F, Saviano M, Di Blasio B, Zanotti G, Maione AM, Tancredi T, Pedone C
BIOACTIVE PEPTIDES - SOLID-STATE, SOLUTION AND MOLECULAR-DYNAMICS STUDIES OF A CYCLOLINOPEPTIDE-A RELATED CYSTINYL CYCLOPENTAPEPTIDE
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1994 Feb; 34(2): 273-284.

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
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Jul; 33(7): 1083-1091.

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
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1993 Apr; 31(10): 621-631.

Di Blasio B, Pavone V, Nastri F, Isernia C, Saviano M, Pedone C, Cucinotta V, Impellizzeri G, Rizzarelli E, Vecchio G
Conformation for a β-cyclodextrin monosubstituted with a cyclic dipeptide
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 1992 Sep 1; 89(15): 7218-7221.

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
J Biomol Struct Dyn (ISSN: 0739-1102, 1538-0254electronic, 0739-1102linking), 1992 Jun; 9(6): 1045-1060.

Gurrieri S, Rizzarelli E, Beach D, Bustamante C
Imaging of kinked configurations of DNA molecules undergoing orthogonal field alternating gel electrophoresis by fluorescence microscopy
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 1990 Apr 3; 29(13): 3396-3401.