Optimization of covalent docking for organophosphates interaction with Anopheles acetylcholinesterase
Thankhoe A. Rants’o, C. Johan van der Westhuizen, Robyn L. van Zyl
Topics & Concepts
Docking (animal)Catalytic triadCovalent bondChemistryNon-covalent interactionsActive siteStereochemistryComputational chemistryCatalysisMoleculeOrganic chemistryHydrogen bondNursingMedicineCholinesterase and Neurodegenerative DiseasesComputational Drug Discovery MethodsPesticide Exposure and Toxicity