Piero Procacci
Title
Cited by
Cited by
Year
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
2652002
ORAC: A molecular dynamics program to simulate complex molecular systems with realistic electrostatic interactions
P Procacci, TA Darden, E Paci, M Marchi
Journal of computational chemistry 18 (15), 1848-1862, 1997
2011997
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
1511999
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
1482002
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
1461999
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
1382006
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
1261999
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
1172006
A very fast molecular dynamics method to simulate biomolecular systems with realistic electrostatic interactions
P Procacci, T Darden, M Marchi
The Journal of Physical Chemistry 100 (24), 10464-10468, 1996
1151996
Identification of potential binders of the main protease 3CLpro of the COVID-19 via structure-based ligand design and molecular modeling
M Macchiagodena, M Pagliai, P Procacci
Chemical Physics Letters 750, 137489, 2020
114*2020
Coordinates scaling and multiple time step algorithms for simulation of solvated proteins in the NPT ensemble
M Marchi, P Procacci
The Journal of chemical physics 109 (13), 5194-5202, 1998
1061998
Taming the Ewald sum in molecular dynamics simulations of solvated proteins via a multiple time step algorithm
P Procacci, M Marchi
The Journal of chemical physics 104 (8), 3003-3012, 1996
1011996
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
982007
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
932000
An ab initio force field for the cofactors of bacterial photosynthesis
M Ceccarelli, P Procacci, M Marchi
Journal of computational chemistry 24 (2), 129-142, 2003
912003
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
872010
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
832002
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
Thermodynamics of stacking interactions in proteins
S Marsili, R Chelli, V Schettino, P Procacci
Physical Chemistry Chemical Physics 10 (19), 2673-2685, 2008
792008
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
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Articles 1–20