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The Journal of Physical Chemistry. B|July 6, 2010
Hummer and Szabo-like potential of mean force estimator for bidirectional nonequilibrium pulling experiments/simulationsPaolo Nicolini, Piero Procacci, Riccardo ChelliJournal of Chemical Theory and Computation|November 19, 2015
Energy-Driven Undocking (EDU-HREM) in Solute Tempering Replica Exchange SimulationsPiero Procacci, Marco Bizzarri, Simone MarsiliThe Journal of Physical Chemistry. B|April 20, 2011
Intraligand hydrophobic interactions rationalize drug affinities for peptidyl-prolyl cis-trans isomerase proteinMarco Bizzarri, Simone Marsili, Piero ProcacciThe Journal of Physical Chemistry. A|August 2, 2007
Key role of the polarization anisotropy of water in modeling classical polarizable force fieldsJean-Philip Piquemal, Riccardo Chelli, Piero Procacci, et al.Journal of the American Chemical Society|November 7, 2009
Fragment 101-108 of myelin oligodendrocyte glycoprotein: a possible lead compound for multiple sclerosisCarlo Guardiani, Simone Marsili, Piero Procacci, et al.Journal of Chemical Information and Modeling|January 11, 2012
Insights into the conformational switching mechanism of the human vascular endothelial growth factor receptor type 2 kinase domainMatteo Chioccioli, Simone Marsili, Claudia Bonaccini, et al.The Journal of Physical Chemistry. B|April 20, 2019
Imidazole in Aqueous Solution: Hydrogen Bond Interactions and Structural Reorganization with ConcentrationMarco Pagliai, Giada Funghi, Dario Vassetti, et al.Journal of Chemical Theory and Computation|October 11, 2017
Binding Free Energies of Host-Guest Systems by Nonequilibrium Alchemical Simulations with Constrained Dynamics: Theoretical FrameworkEdoardo Giovannelli, Piero Procacci, Gianni Cardini, et al.Biopolymers|June 16, 2010
Conformational structure of the MOG-derived peptide 101-108 in solutionCarlo Guardiani, Simone Marsili, Stefania Marchetti, et al.The Journal of Physical Chemistry. A|October 31, 2017
Insights on the Realgar Crystal Under Pressure from XP-PCM and Periodic Model CalculationsChiara Caratelli, Roberto Cammi, Riccardo Chelli, et al.Pageof 17