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Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software.

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Bibliographic Details
Title: Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software.
Authors: Khalak, Yuriy1, Tresadern, Gary2, de Groot, Bert L.1, Gapsys, Vytautas1, vgapsys@gwdg.de
Source: Journal of Computer-Aided Molecular Design; 2021, Vol. 35 Issue 1, p49-61, 13p
Database: Applied Science & Technology Source
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