grand: A Python Module for Grand Canonical Water Sampling in OpenMM. - Marley L. Samways; Hannah E. Bruce Macdonald; Jonathan W. Essex (J. Chem. Inf. Model., 2020)

Water Networks in Complexes between Proteins and FDA-Approved Drugs. - Marley L. Samways; Hannah E. Bruce Macdonald; Richard D. Taylor; Jonathan W. Essex (J. Chem. Inf. Model., 2023)