SAMPL7 Host-Guest Challenge Overview: assessing the reliability of polarizable and non-polarizable methods for binding free energy calculations - researchr publication authors

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Martin Amezcua, Lea El-Khoury, David L. Mobley. SAMPL7 Host-Guest Challenge Overview: assessing the reliability of polarizable and non-polarizable methods for binding free energy calculations. Journal of Computer-Aided Molecular Design, 35(1):1-35, 2021. [doi]

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