Benefits of hybrid QM/MM over traditional classical mechanics in pharmaceutical systems
Rajiv K. Kar
Topics & Concepts
QM/MMMolecular mechanicsDrug discoveryComputer scienceCharacterization (materials science)Process (computing)Biochemical engineeringMolecular dynamicsStatistical physicsNanotechnologyChemistryPhysicsMaterials scienceComputational chemistryEngineeringBiochemistryOperating systemComputational Drug Discovery MethodsProtein Interaction Studies and Fluorescence AnalysisAnalytical Chemistry and Chromatography