Resolving coupled pH titrations using alchemical free energy calculations

Carter J. Wilson, Bert L. de Groot, Vytautas Gapsys. Resolving coupled pH titrations using alchemical free energy calculations. Journal of Computational Chemistry, 45(17):1444-1455, June 2024. [doi]

Authors

Carter J. Wilson

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Bert L. de Groot

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Vytautas Gapsys

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