Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential FailsPetr Dobeš, Pavel Hobza, Jindřich Fanfrlík et al.|The Journal of Physical Chemistry B|2011Cited by 79
Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitorsPetr Dobeš, Pavel Hobza, Jindřich Fanfrlík et al.|Journal of Computer-Aided Molecular Design|2011Cited by 49