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0523808 - ÚOCHB 2021 RIV US eng J - Journal Article
Kříž, Kristian - Řezáč, Jan
Benchmarking of Semiempirical Quantum-Mechanical Methods on Systems Relevant to Computer-Aided Drug Design.
Journal of Chemical Information and Modeling. Roč. 60, č. 3 (2020), s. 1453-1460. ISSN 1549-9596. E-ISSN 1549-960X
R&D Projects: GA MŠMT(CZ) EF16_019/0000729; GA ČR(CZ) GA19-13905S
Institutional support: RVO:61388963
Keywords : protein-ligand complexes * interaction energies * NDDO approximations
OECD category: Physical chemistry
Impact factor: 4.956, year: 2020
Method of publishing: Open access
https://pubs.acs.org/doi/10.1021/acs.jcim.9b01171
Permanent Link: http://hdl.handle.net/11104/0308100