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The Semiempirical Quantum Mechanical Scoring Function for In Silico Drug Design

Martin Lepšík1, Jan Řezáč1, Michal Kolář1

  • 1Institute of Organic Chemistry and Biochemistry and Gilead Science and IOCB Research Center, Academy of Sciences of the Czech Republic, Flemingovo nam. 2, 166 10 Prague 6 (Czech Republic).

Chempluschem
|January 29, 2020
PubMed

Keywords:
computational chemistrydrug designnoncovalent interactionsquantum chemistrysemiempirical calculations

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