Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors. - Petr Dobes; Jindrich Fanfrlík; Jan Rezác; Michal Otyepka; Pavel Hobza (J. Comput. Aided Mol. Des., 2011)

SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique Identification of Native Protein-Ligand Poses. - Adam Pecina; Susanta Haldar; Jindrich Fanfrlík; René Meier 002; Jan Rezác; Martin Lepsík; Pavel Hobza (J. Chem. Inf. Model., 2017)

Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin-Receptor Interface. - Yevgen P. Yurenko; Anja Muzdalo; Michaela Cerneková; Adam Pecina; Jan Rezác; Jindrich Fanfrlík; Lenka Záková; Jirí Jirácek; Martin Lepsík (J. Chem. Inf. Model., 2025)