"Non-equilibrium approach for binding free energies in cyclodextrins in ..."

Yuriy Khalak et al. (2021)

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DOI: 10.1007/S10822-020-00359-1

access: open

type: Journal Article

metadata version: 2021-06-01

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Yuriy Khalak, Gary Tresadern, Bert L. de Groot, Vytautas Gapsys:
Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software. J. Comput. Aided Mol. Des. 35(1): 49-61 (2021)

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