Mechanism and stereoselectivity of epoxidation reaction of a β-himachalene derivative: Insights from DFT, molecular docking, ADMET, and molecular dynamics investigations
Bouchra Rossafi, Fatima Outahar, Imad Hammoudan, Mohamed Moumou, Rodouan Touti, Ahmed Benharref, Samir Chtita
Topics & Concepts
ChemistryStereoselectivityDocking (animal)Molecular dynamicsMechanism (biology)Derivative (finance)Computational chemistryStereochemistryCombinatorial chemistryOrganic chemistryCatalysisNursingPhilosophyEconomicsEpistemologyMedicineFinancial economicsOrganic Chemistry Cycloaddition ReactionsFree Radicals and AntioxidantsBioactive Compounds and Antitumor Agents