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Riccardo Chelli
Riccardo Chelli
Department of Chemistry, University of Florence, Italy
Email verificata su unifi.it
Titolo
Citata da
Citata da
Anno
Stacking and T-shape competition in aromatic− aromatic amino acid interactions
R Chelli, FL Gervasio, P Procacci, V Schettino
Journal of the American Chemical Society 124 (21), 6133-6143, 2002
2692002
Glycerol condensed phases Part II. A molecular dynamics study of the conformational structure and hydrogen bonding
R Chelli, P Procacci, G Cardini, S Califano
Physical Chemistry Chemical Physics 1 (5), 879-885, 1999
1551999
A transferable polarizable electrostatic force field for molecular mechanics based on the chemical potential equalization principle
R Chelli, P Procacci
The Journal of chemical physics 117 (20), 9175-9189, 2002
1492002
Glycerol condensed phases Part I. A molecular dynamics study
R Chelli, P Procacci, G Cardini, RG Della Valle, S Califano
Physical Chemistry Chemical Physics 1 (5), 871-877, 1999
1491999
Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations
S Marsili, A Barducci, R Chelli, P Procacci, V Schettino
The Journal of Physical Chemistry B 110 (29), 14011-14013, 2006
1442006
Electrical response in chemical potential equalization schemes
R Chelli, P Procacci, R Righini, S Califano
The Journal of chemical physics 111 (18), 8569-8575, 1999
1341999
Metadynamics simulation of prion protein: β-structure stability and the early stages of misfolding
A Barducci, R Chelli, P Procacci, V Schettino, FL Gervasio, M Parrinello
Journal of the American Chemical Society 128 (8), 2705-2710, 2006
1202006
Key role of the polarization anisotropy of water in modeling classical polarizable force fields
JP Piquemal, R Chelli, P Procacci, N Gresh
The Journal of Physical Chemistry A 111 (33), 8170-8176, 2007
992007
Simulated structure, dynamics, and vibrational spectra of liquid benzene
R Chelli, G Cardini, P Procacci, R Righini, S Califano, A Albrecht
The journal of chemical physics 113 (16), 6851-6863, 2000
942000
ORAC: A molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic level
S Marsili, GF Signorini, R Chelli, M Marchi, P Procacci
Journal of computational chemistry 31 (5), 1106-1116, 2010
922010
The nature of intermolecular interactions between aromatic amino acid residues
FL Gervasio, R Chelli, P Procacci, V Schettino
Proteins: Structure, Function, and Bioinformatics 48 (1), 117-125, 2002
852002
Thermodynamics of stacking interactions in proteins
S Marsili, R Chelli, V Schettino, P Procacci
Physical Chemistry Chemical Physics 10 (19), 2673-2685, 2008
832008
Calculation of optical spectra in liquid methanol using molecular dynamics and the chemical potential equalization method
R Chelli, S Ciabatti, G Cardini, R Righini, P Procacci
The Journal of chemical physics 111 (9), 4218-4229, 1999
821999
Density functional calculation of structural and vibrational properties of glycerol
R Chelli, FL Gervasio, C Gellini, P Procacci, G Cardini, V Schettino
The Journal of Physical Chemistry A 104 (22), 5351-5357, 2000
732000
Crooks equation for steered molecular dynamics using a Nos-Hoover thermostat
P Procacci, S Marsili, A Barducci, GF Signorini, R Chelli
The Journal of chemical physics 125 (16), 164101, 2006
712006
Misfolding pathways of the prion protein probed by molecular dynamics simulations
A Barducci, R Chelli, P Procacci, V Schettino
Biophysical journal 88 (2), 1334-1343, 2005
712005
The fast dynamics of benzene in the liquid phase. Part I. Optical Kerr effect experimental investigation
M Ricci, P Bartolini, R Chelli, G Cardini, S Califano, R Righini
Physical Chemistry Chemical Physics 3 (14), 2795-2802, 2001
702001
A study on the anisole–water complex by molecular beam–electronic spectroscopy and molecular mechanics calculations
M Becucci, G Pietraperzia, M Pasquini, G Piani, A Zoppi, R Chelli, ...
The Journal of chemical physics 120 (12), 5601-5607, 2004
582004
The fast dynamics of benzene in the liquid phase. Part II. A molecular dynamics simulation
R Chelli, G Cardini, M Ricci, P Bartolini, R Righini, S Califano
Physical Chemistry Chemical Physics 3 (14), 2803-2810, 2001
582001
Polarization response of water and methanol investigated by a polarizable force field and density functional theory calculations: Implications for charge transfer
R Chelli, M Pagliai, P Procacci, G Cardini, V Schettino
The Journal of chemical physics 122 (7), 074504, 2005
512005
Il sistema al momento non pu eseguire l'operazione. Riprova pi tardi.
Articoli 1–20