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Accurate absolute free energies for ligand–protein binding based on non-equilibrium approaches, Communication Chemistry, 2021
Large scale relative protein ligand binding affinities using non-equilibrium alchemy, Chemical Science, 2020
Accurate absolute free energies for ligand–protein binding based on non-equilibrium approaches, Communication Chemistry, 2021
Large scale relative protein ligand binding affinities using non-equilibrium alchemy, Chemical Science, 2020