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"To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough."

Mary Pitman et al. (2023)

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DOI: 10.1021/ACS.JCIM.2C01579

access: closed

type: Journal Article

metadata version: 2023-04-29

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  - journals/jcisd/PitmanHTM23
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  - https://dblp.org/rec/journals/jcisd/PitmanHTM23
Mary Pitman, David F. Hahn, Gary Tresadern, David L. Mobley:
To Design Scalable Free Energy Perturbation Networks, Optimal Is Not Enough. J. Chem. Inf. Model. 63(6): 1776-1793 (2023)

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