Targeting cyclin-dependent kinase 2 CDK2: Insights from molecular docking and dynamics simulation – A systematic computational approach to discover novel cancer therapeutics
Bharath Kumar Chagaleti, Shantha Kumar B., Anjana G.V., Rajakrishnan Rajagopal, Ahmed Alfarhan, Jesu Arockiaraj, Kathiravan Muthu Kumaradoss, S. Karthick Raja Namasivayam
Topics & Concepts
Docking (animal)PharmacophoreMolecular dynamicsChemistryComputational chemistryBinding affinitiesCombinatorial chemistryLigand (biochemistry)Computational biologyStereochemistryBiochemistryBiologyReceptorMedicineNursingComputational Drug Discovery MethodsAdvanced Breast Cancer TherapiesCancer therapeutics and mechanisms