| 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 | 300 | 2002 |
| 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 | 173 | 1999 |
| 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 | 170 | 1999 |
| 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 | 164 | 2006 |
| 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 | 159 | 2002 |
| 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 | 147 | 1999 |
| 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 | 136 | 2006 |
| 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 | 109 | 2010 |
| 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 | 101 | 2007 |
| 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 | 97 | 2000 |
| Thermodynamics of stacking interactions in proteins S Marsili, R Chelli, V Schettino, P Procacci Physical Chemistry Chemical Physics 10 (19), 2673-2685, 2008 | 95 | 2008 |
| 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 | 90 | 2002 |
| 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 | 82 | 1999 |
| 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 | 81 | 2000 |
| Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat P Procacci, S Marsili, A Barducci, GF Signorini, R Chelli The Journal of chemical physics 125 (16), 2006 | 80 | 2006 |
| 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 | 75 | 2005 |
| 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 | 72 | 2001 |
| 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 | 62 | 2001 |
| 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 | 58 | 2004 |
| 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), 2005 | 57 | 2005 |
