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Journal of Computer-Aided Molecular Design|January 4, 2021
SAMPL7 blind predictions using nonequilibrium alchemical approachesPiero Procacci, Guido GuarnieriJournal of Computer-Aided Molecular Design|October 19, 2019
SAMPL6 blind predictions of water-octanol partition coefficients using nonequilibrium alchemical approachesPiero Procacci, Guido GuarnieriThe 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 GuarnieriJournal of Computer-Aided Molecular Design|August 22, 2018
SAMPL6 host-guest blind predictions using a non equilibrium alchemical approachPiero Procacci, Massimiliano Guarrasi, Guido GuarnieriChemical Communications (Cambridge, England)|July 8, 2020
Interaction of hydroxychloroquine with SARS-CoV2 functional proteins using all-atoms non-equilibrium alchemical simulationsPiero Procacci, Marina Macchiagodena, Marco Pagliai, et al.Journal of Chemical Theory and Computation|October 22, 2020
Virtual Double-System Single-Box: A Nonequilibrium Alchemical Technique for Absolute Binding Free Energy Calculations: Application to Ligands of the SARS-CoV-2 Main ProteaseMarina Macchiagodena, Marco Pagliai, Maurice Karrenbrock, et al.Pageof 1