Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules - researchr publication authors

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Shujie Fan, Hristo Nedev, Ranjit Vijayan, Bogdan I. Iorga, Oliver Beckstein. Precise force-field-based calculations of octanol-water partition coefficients for the SAMPL7 molecules. Journal of Computer-Aided Molecular Design, 35(7):853-870, 2021. [doi]

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