Ligand Binding Free Energies with Adaptive Water Networks: Two-Dimensional Grand Canonical Alchemical Perturbations
Bruce Macdonald, Hannah E., Cave-Ayland, Christopher, Ross, Gregory A., Essex, Jonathan W.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00614
Date:
November, 2018
File:
PDF, 4.53 MB
english, 2018