Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software
2020 | journal article
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Khalak Y, Tresadern G, de Groot BL, Gapsys V. Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software. Journal of Computer-Aided Molecular Design. 2020;35(1):49-61. doi:10.1007/s10822-020-00359-1.
