Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software
2020 | journal article
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Khalak, Yuriy, et al. "Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software." Journal of Computer-Aided Molecular Design, vol. 35, no. 1, 2020, pp. 49-61, doi: 10.1007/s10822-020-00359-1.
