"Hybrid Alchemical Free Energy/Machine-Learning Methodology for the ..."

Jenke Scheen et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00600

access: closed

type: Journal Article

metadata version: 2021-10-14

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Jenke Scheen, Wilson Wu, Antonia S. J. S. Mey, Paolo Tosco, Mark Mackey, Julien Michel:
Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies. J. Chem. Inf. Model. 60(11): 5331-5339 (2020)

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