Marley Samways

8PUBLICATIONS
20CO-AUTHORS
Characterisation of biological macromoleculesBiomolecular modelling and designTransport properties and non-equilibrium processesProteins and peptides
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Publications (8)

|May 07, 2026
A new 4-atom linker enables PROTAC development and imaging.

|Jul 04, 2025
Accelerating fragment-based drug discovery using grand canonical nonequilibrium candidate Monte Carlo.

William G Poole, Marley L Samways, Davide Branduardi

|Jan 24, 2023
Enhanced Grand Canonical Sampling of Occluded Water Sites Using Nonequilibrium Candidate Monte Carlo.

Oliver J Melling, Marley L Samways, Yunhui Ge

|Dec 05, 2022
Water Networks in Complexes between Proteins and FDA-Approved Drugs.

Marley L Samways, Hannah E Bruce Macdonald, Richard D Taylor

|Nov 19, 2022
Open Binding Pose Metadynamics: An Effective Approach for the Ranking of Protein-Ligand Binding Poses.

Dominykas Lukauskis, Marley L Samways, Simone Aureli

|Feb 11, 2022
Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques.

Yunhui Ge, David C Wych, Marley L Samways

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Frequent Collaborators

6 joint publications

Jonathan W Essex

2 joint publications

Hannah E Bruce Macdonald

2 joint publications

Yunhui Ge

2 joint publications

David L Mobley