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Physical Chemistry Chemical Physics : PCCP|February 12, 2009
A potential of mean force estimator based on nonequilibrium work exponential averagesRiccardo Chelli, Piero ProcacciJournal of Chemical Theory and Computation|April 8, 2017
Statistical Mechanics of Ligand-Receptor Noncovalent Association, Revisited: Binding Site and Standard State Volumes in Modern Alchemical TheoriesPiero Procacci, Riccardo ChelliPhysical Chemistry Chemical Physics : PCCP|May 20, 2016
II. Dissociation free energies in drug-receptor systems via nonequilibrium alchemical simulations: application to the FK506-related immunophilin ligandsFrancesca Nerattini, Riccardo Chelli, Piero ProcacciPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|June 4, 2008
Calculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimatorsRiccardo Chelli, Simone Marsili, Piero ProcacciThe 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 ChelliThe Journal of Chemical Physics|July 13, 2005
Comparing polarizable force fields to ab initio calculations reveals nonclassical effects in condensed phasesRiccardo Chelli, Vincenzo Schettino, Piero ProcacciThe Journal of Chemical Physics|February 9, 2007
Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: a strategy based on the equations of motionRiccardo Chelli, Simone Marsili, Alessandro Barducci, et al.The Journal of Chemical Physics|July 28, 2007
Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulationsRiccardo Chelli, Simone Marsili, Alessandro Barducci, et al.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|August 7, 2007
Generalization of the Jarzynski and Crooks nonequilibrium work theorems in molecular dynamics simulationsRiccardo Chelli, Simone Marsili, Alessandro Barducci, et al.Biophysical Journal|November 24, 2004
Misfolding pathways of the prion protein probed by molecular dynamics simulationsAlessandro Barducci, Riccardo Chelli, Piero Procacci, et al.Pageof 13