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Marley L. Samways

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2023
[j3]
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  - journals/jcisd/SamwaysMTE23
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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): 387-396 (2023)
2022
[j2]
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  - journals/jcisd/LukauskisSACTG22
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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): 6209-6216 (2022)
2020
[j1]
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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): 4436-4441 (2020)

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