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DFT,ADMET, molecular docking and molecular dynamics studies of pyridoxal
Institution:1. University of Tyumen, Volodarskogo Str. 6, 625003, Tyumen, Russian Federation;2. University of Gaziantep, Department of Bioinformatics and Computational Biology, Institute of Health Sciences, 27310, Gaziantep, Turkey;3. University of Gaziantep, Department of Chemistry, Faculty of Arts and Sciences, 27310, Gaziantep, Turkey;4. Scientific and Educational and Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University named after the First President of Russia B.N. Yeltsin, Ekaterinburg, 620002, Russian Federation
Abstract:
Keywords:Pyridine  Computational study  Density functional theory  Molecular docking  Molecular dynamics simulation  COVID-19
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