Marley L. Samways

Publication Activity (10 Years)

Years Active: 2020-2023
Publications (10 Years): 3

Top Topics

Sampling Strategies

Active Learning

Artificial Neural Networks

Top Venues

J. Chem. Inf. Model.

Publications

Marley L. Samways, Hannah E. Bruce Macdonald, Richard D. Taylor, Jonathan W. Essex
Water Networks in Complexes between Proteins and FDA-Approved Drugs. J. Chem. Inf. Model. 63 (1) (2023)
Dominykas Lukauskis, Marley L. Samways, Simone Aureli, Benjamin P. Cossins, Richard D. Taylor, Francesco Luigi Gervasio
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein-Ligand Binding Poses. J. Chem. Inf. Model. 62 (23) (2022)
Marley L. Samways, Hannah E. Bruce Macdonald, Jonathan W. Essex
grand: A Python Module for Grand Canonical Water Sampling in OpenMM. J. Chem. Inf. Model. 60 (10) (2020)