Author

M. L. Samways

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Biophysics· 1

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Research Focus:drug response / drug discovery· 1 Approach:mechanistic / dynamical model· 1 Research Focus:protein folding & dynamics· 1 Assay:protein structure· 1 Approach:statistical model· 1

Frequent Co-Authors

D. C. Wych· 1 shared D. L. Mobley· 1 shared J. W. Essex· 1 shared M. E. Wall· 1 shared Y. Ge· 1 shared

Activity by Year

2021-2021 · peak 1/yr

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5 top collaborators · 10 mutual co-author links

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1 shared paperBiophysics

D. C. Wych

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1 paper

Recent·Most cited

Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of Techniques

Y. Ge, D. C. Wych, M. L. Samways, M. E. Wall, J. W. Essex, D. L. Mobley

The paper compares MD simulation techniques for rehydrating buried water sites in protein-ligand binding, finding that grand outperforms BLUES and normal MD, but water sampling remains challenging.

bioRxiv · Jun 14, 2021Biophysics