Molecular docking and molecular dynamics simulation
Sakshi Singh, Qanita Bani Baker, Dev Bukhsh Singh
Topics & Concepts
Docking (animal)Protein–ligand dockingMolecular dynamicsVirtual screeningIn silicoComputational biologyDrug discoveryMacromolecular dockingComputer scienceChemistryBiologyComputational chemistryBiochemistryMedicineNursingGeneComputational Drug Discovery MethodsProtein Structure and DynamicsReceptor Mechanisms and Signaling