"Optimal designs for pairwise calculation: An application to free energy ..."

Qingyi Yang et al. (2020)

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DOI: 10.1002/JCC.26095

access: closed

type: Journal Article

metadata version: 2020-10-26

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  - https://dblp.org/rec/journals/jcc/YangBSLYMH20
Qingyi Yang, Woodrow Burchett, Gregory S. Steeno, Shuai Liu, Mingjun Yang, David L. Mobley, Xinjun Hou:
Optimal designs for pairwise calculation: An application to free energy perturbation in minimizing prediction variability. J. Comput. Chem. 41(3): 247-257 (2020)

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