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"Energy-entropy method using multiscale cell correlation to calculate ..."

Hafiz Saqib Ali et al. (2021)

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DOI: 10.1007/S10822-021-00406-5

access: open

type: Journal Article

metadata version: 2021-10-14

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Hafiz Saqib Ali, Arghya Chakravorty, Jas Kalayan, Sam P. de Visser, Richard H. Henchman:
Energy-entropy method using multiscale cell correlation to calculate binding free energies in the SAMPL8 host-guest challenge. J. Comput. Aided Mol. Des. 35(8): 911-921 (2021)

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