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GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulations

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. Journal of Computational Chemistry, 44(20):1719-1732, 2023. [doi]

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