Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors
Petr Dobeš(Czech Academy of Sciences), Pavel Hobza(Czech Academy of Sciences, Institute of Organic Chemistry and Biochemistry), Michal Otyepka(VSB - Technical University of Ostrava), Jindřich Fanfrlík(Czech Academy of Sciences), Jan Řezáč(Czech Academy of Sciences)
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