Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations
Y. Sheena Mary, Y. Shyma Mary, Y. Shyma Mary, Y. Shyma Mary, Stevan Armaković, Sanja J. Armaković, Rohitash Yadav, İsmail Çeli̇k, Pratap Mane, Brahmananda Chakraborty
Topics & Concepts
ChemistryReactivity (psychology)MoleculeComputational chemistryElectrophileNucleophileMolecular dynamicsBrucineDensity functional theoryInteraction energyStereochemistryChemical physicsOrganic chemistryPathologyCatalysisStrychnineMedicineAlternative medicineBiochemistryComputational Drug Discovery MethodsEnzyme function and inhibitionFree Radicals and Antioxidants