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