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

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Bibliographic Details
Title: SAMPL7 Host–Guest Challenge Overview: assessing the reliability of polarizable and non-polarizable methods for binding free energy calculations.
Authors: Amezcua, Martin1, El Khoury, Léa1, Mobley, David L.1,2, dmobley@mobleylab.org
Source: Journal of Computer-Aided Molecular Design; 2021, Vol. 35 Issue 1, p1-35, 35p
Database: Applied Science & Technology Source
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Description
ISSN:0920654X
DOI:10.1007/s10822-020-00363-5