An efficient protocol for obtaining accurate hydration free energies using quantum chemistry and reweighting from molecular dynamics simulations

Frank C. Pickard*, Gerhard König, Andrew C. Simmonett, Yihan Shao, Bernard R. Brooks

*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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INIS

Chemistry

Material Science

Biochemistry, Genetics and Molecular Biology

Chemical Engineering