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, B. L. & Gapsys, V. (2020). Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software. Journal of Computer-Aided Molecular Design, 35(1), 49-61. doi: https://doi.org/10.1007/s10822-020-00359-1
