RNDr. Adam Pecina, PhD. Researcher, Computational chemistry Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences (IOCB Prague) Research interests: • quantum mechanical approach for in silico drug design • structure and dynamics of molecules, molecular clusters, bio- and nano- molecules • non-covalent interactions, mechanisms of action, inhibition • structure based drug design Methods: high-level ab initio QM methods, DFT and semiempirical methods corrected for non-covalent interactions, hybrid QM/MM approach, MD simulations and enhanced sampling methods, DFT-SAPT decompositions and molecular docking/scoring algorithms. Marie-Curie Fellow: MSCA-IF-2018 project no 843117 "CompNanozymes" (https://cordis.europa.eu/project/id/843117)