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March 26, 2024Open Access

Multistate Method to Efficiently Account for Tautomerism and Protonation in Alchemical Free-Energy Calculations

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CCCandide ChampionBindura University of Science EducationPHPhilippe H. HünenbergerETH ZurichSRSereina RinikerBoard of the Swiss Federal Institutes of Technology

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Champion et al. (2024) studied this question.

synapsesocial.com/papers/68e72550b6db64358769f57ehttps://doi.org/10.26434/chemrxiv-2024-qkw53
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