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"GPU-specific algorithms for improved solute sampling in grand canonical ..."

Mingtian Zhao et al. (2023)

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DOI: 10.1002/JCC.27121

access: closed

type: Journal Article

metadata version: 2023-07-21

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Mingtian Zhao, Abhishek A. Kognole, Sunhwan Jo, Aoxiang Tao, Anthony Hazel, Alexander D. MacKerell Jr.:
GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations. J. Comput. Chem. 44(20): 1719-1732 (2023)

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