Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software
2020 | journal article
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Khalak, Yuriy, Gary Tresadern, Bert L. de Groot, and Vytautas Gapsys. "Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software." Journal of Computer-Aided Molecular Design 35, no. 1 (2020): 49-61. https://doi.org/10.1007/s10822-020-00359-1.
