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"Resolving coupled pH titrations using alchemical free energy calculations."

Carter J. Wilson, Bert L. de Groot, Vytautas Gapsys (2024)

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DOI: 10.1002/JCC.27318

access: open

type: Journal Article

metadata version: 2024-06-08

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Carter J. Wilson, Bert L. de Groot, Vytautas Gapsys:
Resolving coupled pH titrations using alchemical free energy calculations. J. Comput. Chem. 45(17): 1444-1455 (2024)

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