Piero Procacci

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7 makale

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Finansman sağlayan kuruluşun getirdiği zorunluluğa dayalı olarak

Katkıda bulunan yazarlar

Riccardo ChelliDepartment of Chemistry, University of Florence, Italyunifi.it üzerinde doğrulanmış e-posta adresine sahip
Vincenzo Schettinolens.unifi.it üzerinde doğrulanmış e-posta adresine sahip
Gianni CardiniProfessor of Chemical Physics, Department of Chemistry, University of Firenzeunifi.it üzerinde doğrulanmış e-posta adresine sahip
Simone MarsiliCNIOcnio.es üzerinde doğrulanmış e-posta adresine sahip
Massimo MarchiCommissariat à l'Energie Atomiquecea.fr üzerinde doğrulanmış e-posta adresine sahip
Francesco Luigi GervasioProfessor of Pharmaceutical Sciences at University of Geneva & Professor of Chemistry UCLunige.ch üzerinde doğrulanmış e-posta adresine sahip
Alessandro BarducciCentre de Biologie Structurale (CBS), Montpellier, Francecbs.cnrs.fr üzerinde doğrulanmış e-posta adresine sahip
Roberto RighiniProfessor of Chemical Physics, University of Florencelens.unifi.it üzerinde doğrulanmış e-posta adresine sahip
STEFANO MENICHETTIprofessore di chimica organica, dipartimento di chimica 'Ugo Schiff', università di Firenzeunifi.it üzerinde doğrulanmış e-posta adresine sahip
Gabriella CaminatiDept. of Chemistry - University of Florenceunifi.it üzerinde doğrulanmış e-posta adresine sahip
Giorgio F SignoriniDipartimento di Chimica, Università di Firenzeunifi.it üzerinde doğrulanmış e-posta adresine sahip
matteo ceccarelliFull Professor of Biophysics, Department of Physics, University of Cagliaridsf.unica.it üzerinde doğrulanmış e-posta adresine sahip
B. J. Berne or Bruce J Berne or Bruce...Higgins Professor of Chemistrycolumbia.edu üzerinde doğrulanmış e-posta adresine sahip
Emanuele PaciUniversità di Bolognaunibo.it üzerinde doğrulanmış e-posta adresine sahip
michele parrinelloDepartment of Chemistryphys.chem.ethz.ch üzerinde doğrulanmış e-posta adresine sahip
Roberto BiniProfessore Universita di Firenze e LENSunifi.it üzerinde doğrulanmış e-posta adresine sahip
Jean-Philip PiquemalDistinguished Professor of Theoretical Chemistry, Sorbonne Universitésorbonne-universite.fr üzerinde doğrulanmış e-posta adresine sahip

Takip et

Piero Procacci

Computational chemist, University of Florence

unifi.it üzerinde doğrulanmış e-posta adresine sahip

chemical physics biophysics drug design molecular dynamics nonequilibrium thermodynamics


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
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	310	2002
Assessment of GAFF2 and OPLS-AA general force fields in combination with the water models TIP3P, SPCE, and OPC3 for the solvation free energy of druglike organic molecules D Vassetti, M Pagliai, P Procacci Journal of chemical theory and computation 15 (3), 1983-1995, 2019	216	2019
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	212	1997
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	179*	2020
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	174	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	174	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	170	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	161	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	148	1999
CRESCO ENEA HPC clusters: a working example of a multifabric GPFS Spectrum Scale layout F Iannone, F Ambrosino, G Bracco, M De Rosa, A Funel, G Guarnieri, ... 2019 International Conference on High Performance Computing & Simulation …, 2019	143	2019
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	142	2006
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	123	1998
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	120	1996
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	110	2010
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	110	2003
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	107	1996
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	102	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	96	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	91	2002

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