Docking and scoring in virtual screening for drug discovery: methods and applications
Douglas B. Kitchen, Hélène Decornez, John R. Furr, Jürgen Bajorath
Topics & Concepts
Virtual screeningDrug discoveryDOCKComputer scienceDocking (animal)Computational biologyComplementarity (molecular biology)Data scienceIdentification (biology)Biochemical engineeringRisk analysis (engineering)BioinformaticsChemistryMedicineBiologyEngineeringBiochemistryNursingBotanyGeneticsComputational Drug Discovery MethodsProtein Structure and DynamicsHIV/AIDS drug development and treatment