Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model

Samuel Genheden, Ulf Ryde, Pär Söderhjelm. Binding affinities by alchemical perturbation using QM/MM with a large QM system and polarizable MM model. Journal of Computational Chemistry, 36(28):2114-2124, 2015. [doi]

Abstract

Abstract is missing.