Computational structure modeling for diverse categories of macromolecular interactions
Tunde Aderinwale, Charles Christoffer, Daipayan Sarkar, Eman Alnabati, Daisuke Kihara
Topics & Concepts
Docking (animal)Protein–ligand dockingMacromolecular dockingComputational biologySearching the conformational space for dockingProtein structure predictionComputer scienceProtein structureChemistryBiologyMolecular dynamicsBiochemistryVirtual screeningComputational chemistryMedicineNursingProtein Structure and DynamicsEnzyme Structure and FunctionComputational Drug Discovery Methods