Jan Řezáč

发表

SQM/COSMO Scoring Function: Reliable Quantum-Mechanical Tool for Sampling and Ranking in Structure-Based Drug Design.

Adam Pecina, Saltuk M. Eyrilmez, Cemal Köprülüoğlu, 2020, ChemPlusChem.

SQM/COSMO Scoring Function at the DFTB3-D3H4 Level: Unique Identification of Native Protein-Ligand Poses

René Meier, Adam Pecina, Martin Lepšík, 2017, J. Chem. Inf. Model..

Front Cover: SQM/COSMO Scoring Function: Reliable Quantum‐Mechanical Tool for Sampling and Ranking in Structure‐Based Drug Design (ChemPlusChem 11/2020)

Adam Pecina, Saltuk M. Eyrilmez, Cemal Köprülüoğlu, 2020 .

Extrapolation and Scaling of the DFT-SAPT Interaction Energies toward the Basis Set Limit.

Jan Řezáč, Pavel Hobza, P. Hobza, 2011, Journal of chemical theory and computation.