Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors

DOBEŠ, P., FANFRLÍK, J., ŘEZÁČ, J., OTYEPKA, M., HOBZA, P. Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors. Journal of Computer-Aided Molecular Design. 2011, 25(3), 223-235. ISSN 0920-654X. E-ISSN 1573-4951. Dostupné z: doi: 10.1007/s10822-011-9413-5