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covalent
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Mgr. Kristian Kříž Ph.D.
External person at Faculty of Science
4 publications
Publications
publication
Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts
2021 |
Faculty of Science
publication
Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design
2020 |
Faculty of Science
publication
Reparametrization of the COSMO Solvent Model for Semiempirical Methods PM6 and PM7
2019 |
Faculty of Science
publication
Chalcogen Bonding in Protein-Ligand Complexes: PDB Survey and Quantum Mechanical Calculations
2018 |
Faculty of Science
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