Molecular Docking Using Quantum Mechanical-Based Methods
M. Gabriela Aucar, Claudio N. Cavasotto
Topics & Concepts
Docking (animal)BiomoleculeProtein–ligand dockingQuantumComputer scienceDrug discoveryVirtual screeningChemistryNanotechnologyComputational chemistryMolecular dynamicsMaterials sciencePhysicsQuantum mechanicsNursingBiochemistryMedicineComputational Drug Discovery MethodsClick Chemistry and ApplicationsProtein Structure and Dynamics