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Journal 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 ProcacciPhysical 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 ChelliThe Journal of Physical Chemistry. B|February 4, 2010
Free energy reconstruction in bidirectional force spectroscopy experiments: the effect of the device stiffnessSimone Marsili, Piero ProcacciNeural 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 GuarnieriThe Journal of Chemical Physics|April 30, 2022
SAMPL9 blind predictions using nonequilibrium alchemical approachesPiero Procacci, Guido GuarnieriPageof 13