Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases - researchr publication authors

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Candide Champion, René Gall, Benjamin Ries, Salomé Rieder, Emília P. Barros, Sereina Riniker. Accelerating Alchemical Free Energy Prediction Using a Multistate Method: Application to Multiple Kinases. Journal of Chemical Information and Computer Sciences, 63(22):7133-7147, November 2023. [doi]

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