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"Hybrid Alchemical Free Energy/Machine-Learning Methodology for the ..."
Jenke Scheen et al. (2020)
- 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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