Computer-aided drug design, quantum-mechanical methods for biological problems
Madushanka Manathunga, Andreas W. Götz, Kenneth M. Merz
Topics & Concepts
Computer scienceQuantumField (mathematics)Drug discoveryQuantum chemicalPopularityQM/MMComputational scienceComputer engineeringNanotechnologyMolecular dynamicsBioinformaticsChemistryComputational chemistryMaterials sciencePhysicsMoleculeMathematicsBiologyPsychologyQuantum mechanicsSocial psychologyPure mathematicsOrganic chemistryMachine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics