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"Binding affinities by alchemical perturbation using QM/MM with a large QM ..."

Samuel Genheden, Ulf Ryde, Pär Söderhjelm (2015)

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DOI: 10.1002/JCC.24048

access: closed

type: Journal Article

metadata version: 2020-05-30

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  - https://dblp.org/rec/journals/jcc/GenhedenRS15
Samuel Genheden, Ulf Ryde, Pär Söderhjelm:
Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model. J. Comput. Chem. 36(28): 2114-2124 (2015)

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