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"Binding affinities by alchemical perturbation using QM/MM with a large QM ..."
Samuel Genheden, Ulf Ryde, Pär Söderhjelm (2015)
- 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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