Solution structure of the Alzheimer amyloid β‐peptide (1–42) in an apolar microenvironment: Similarity with a virus fusion domain O Crescenzi, S Tomaselli, R Guerrini, S Salvadori, AM D'Ursi, PA Temussi, ...
European journal of biochemistry 269 (22), 5642-5648, 2002
808 2002 Integrated computational approach to vibrationally resolved electronic spectra: Anisole as a test case J Bloino, M Biczysko, O Crescenzi, V Barone
The Journal of chemical physics 128 (24), 2008
159 2008 The three-dimensional structure of Ca2+-bound calcyclin: implications for Ca2+-signal transduction by S100 proteins M Sastry, RR Ketchem, O Crescenzi, C Weber, MJ Lubienski, H Hidaka, ...
Structure 6 (2), 223-231, 1998
153 1998 δ Opioidmimetic Antagonists: Prototypes for Designing a New Generation of Ultraselective Opioid PeptidesS Salvadori, M Attila, G Balboni, C Bianchi, SD Bryant, O Crescenzi, ...
Molecular medicine 1, 678-689, 1995
152 1995 Antimicrobial potency of cationic antimicrobial peptides can be predicted from their amino acid composition: Application to the detection of “cryptic” antimicrobial peptides K Pane, L Durante, O Crescenzi, V Cafaro, E Pizzo, M Varcamonti, ...
Journal of theoretical biology 419, 254-265, 2017
139 2017 Structural basis of polydopamine film formation: probing 5, 6-dihydroxyindole-based eumelanin type units and the porphyrin issue ML Alfieri, R Micillo, L Panzella, O Crescenzi, SL Oscurato, P Maddalena, ...
ACS applied materials & interfaces 10 (9), 7670-7680, 2017
132 2017 Short-lived quinonoid species from 5, 6-dihydroxyindole dimers en route to eumelanin polymers: integrated chemical, pulse radiolytic, and quantum mechanical investigation A Pezzella, L Panzella, O Crescenzi, A Napolitano, S Navaratman, ...
Journal of the American Chemical Society 128 (48), 15490-15498, 2006
127 2006 Generation of the neurotoxin 6-hydroxydopamine by peroxidase/H2O2 oxidation of dopamine A Napolitano, O Crescenzi, A Pezzella, G Prota
Journal of medicinal chemistry 38 (6), 917-922, 1995
119 1995 Mining for encrypted peptide antibiotics in the human proteome MDT Torres, MCR Melo, L Flowers, O Crescenzi, E Notomista, ...
Nature Biomedical Engineering 6 (1), 67-75, 2022
118 2022 Solvent Effects on the UV (n → π*) and NMR (13 C and 17 O) Spectra of Acetone in Aqueous Solution. An Integrated Car−Parrinello and DFT/PCM Approach O Crescenzi, M Pavone, F De Angelis, V Barone
The Journal of Physical Chemistry B 109 (1), 445-453, 2005
117 2005 Solution Structure of a Chemosensory Protein from the Desert Locust Schistocerca gregaria , S Tomaselli, O Crescenzi, D Sanfelice, E Ab, R Wechselberger, S Angeli, ...
Biochemistry 45 (35), 10606-10613, 2006
116 2006 Oxidation mechanism of diethyl ether: a complex process for a simple molecule S Di Tommaso, P Rotureau, O Crescenzi, C Adamo
Physical Chemistry Chemical Physics 13 (32), 14636-14645, 2011
110 2011 Reliable NMR chemical shifts for molecules in solution by methods rooted in density functional theory C Benzi, O Crescenzi, M Pavone, V Barone
Magnetic Resonance in Chemistry 42 (S1), S57-S67, 2004
101 2004 Eumelanin broadband absorption develops from aggregation-modulated chromophore interactions under structural and redox control R Micillo, L Panzella, M Iacomino, G Prampolini, I Cacelli, A Ferretti, ...
Scientific reports 7 (1), 41532, 2017
98 2017 Different models for the calculation of solvent effects on M Cossi, O Crescenzi
The Journal of chemical physics 118 (19), 8863-8872, 2003
93 2003 Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (proline-proline-glycine) n polypeptides R Improta, F Mele, O Crescenzi, C Benzi, V Barone
Journal of the American Chemical Society 124 (26), 7857-7865, 2002
90 2002 Extension of the AMBER force-field for the study of large nitroxides in condensed phases: an ab initio parameterization E Stendardo, A Pedone, P Cimino, MC Menziani, O Crescenzi, V Barone
Physical Chemistry Chemical Physics 12 (37), 11697-11709, 2010
79 2010 Solution structure of a sweet protein: NMR study of MNEI, a single chain monellin R Spadaccini, O Crescenzi, T Tancredi, N De Casamassimi, G Saviano, ...
Journal of Molecular Biology 305 (3), 505-514, 2001
76 2001 Interplay of intrinsic, environmental, and dynamic effects in tuning the EPR parameters of nitroxides: further insights from an integrated computational approach M Pavone, P Cimino, O Crescenzi, A Sillanpaeae, V Barone
The Journal of Physical Chemistry B 111 (30), 8928-8939, 2007
65 2007 Probing the surface of a sweet protein: NMR study of MNEI with a paramagnetic probe N Niccolai, R Spadaccini, M Scarselli, A Bernini, O Crescenzi, O Spiga, ...
Protein Science 10 (8), 1498-1507, 2001
64 2001 