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The Journal of Chemical Physics|February 12, 2009
Nonequilibrium work relations for systems subject to mechanical and thermal changesRiccardo ChelliJournal of Chemical Theory and Computation|December 1, 2015
Optimal Weights in Serial Generalized-Ensemble SimulationsRiccardo ChelliJournal of Chemical Theory and Computation|November 26, 2015
Local Sampling in Steered Monte Carlo Simulations Decreases Dissipation and Enhances Free Energy Estimates via Nonequilibrium Work TheoremsRiccardo ChelliJournal of Computer-Aided Molecular Design|October 9, 2021
On the NS-DSSB unidirectional estimates in the SAMPL6 SAMPLing challengePiero Procacci, Marina MacchiagodenaJournal of Computer-Aided Molecular Design|May 24, 2021
Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challengesLorenzo Casbarra, Piero ProcacciJournal of Chemical Theory and Computation|November 21, 2015
Fast Switching Alchemical Transformations in Molecular Dynamics SimulationsPiero Procacci, Chiara CardelliNeural Regeneration Research|June 29, 2020
Mounting evidence of FKBP12 implication in neurodegenerationGabriella Caminati, Piero ProcacciJournal of Computer-Aided Molecular Design|January 4, 2021
SAMPL7 blind predictions using nonequilibrium alchemical approachesPiero Procacci, Guido GuarnieriPhysical Chemistry Chemical Physics : PCCP|July 11, 2024
Methodological and force field effects in the molecular dynamics-based prediction of binding free energies of host-guest systemsZhaoxi Sun, Piero ProcacciThe Journal of Chemical Physics|April 1, 2023
SAMPL9 blind predictions for toluene/water partition coefficients using nonequilibrium alchemical approachesPiero Procacci, Guido GuarnieriPageof 17