Concepedia
Statistics
Publications
6
Citations
185
H-Index
Active since
2020
Affiliations
University of Southampton(Current)
Memorial Sloan Kettering Cancer Center
University of California, Irvine
Marley L. Samways is an author at University of Southampton specializing in molecular biology, molecular docking, and medicine.
Top concepts
MedicineBiophysicsEngineeringMolecular BiologyMolecular DockingHydrologyEarth ScienceDrug DiscoverySystems BiologyWater Resources
Publications per year
2020–2023
grand: A Python Module for Grand Canonical Water Sampling in OpenMM
Marley L. Samways, Hannah E. Bruce Macdonald, Jonathan W. Essex · Journal of Chemical Information and Modeling · 2020 · 41 citations · Full text
Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques
Ge Yunhui, David C. Wych, Marley L. Samways et al. · Journal of Chemical Theory and Computation · 2022 · 39 citations · Full text
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein–Ligand Binding Poses
Dominykas Lukauskis, Marley L. Samways, Simone Aureli et al. · Journal of Chemical Information and Modeling · 2022 · 38 citations · Full text
Effective Approach, Drug Target, Engineering +15
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo
Oliver Melling, Marley L. Samways, Ge Yunhui et al. · Journal of Chemical Theory and Computation · 2023 · 32 citations · Full text
Engineering, Hydrogeophysics, Molecular Biology +17
Rimantadine Binds to and Inhibits the Influenza A M2 Proton Channel without Enantiomeric Specificity
Jessica L. Thomaston, Marley L. Samways, Athina Konstantinidi et al. · Biochemistry · 2021 · 22 citations · Full text
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