Ligand- and Structure-Based Virtual Screening in Drug Discovery
Shome S. Bhunia, Mridula Saxena, Anil K. Saxena
Topics & Concepts
Virtual screeningDrug discoveryChemical similarityComplementarity (molecular biology)Computer scienceChemical spaceSimilarity (geometry)Ligand (biochemistry)Computational biologyData miningChemistryBioinformaticsArtificial intelligenceStructural similarityBiologyReceptorBiochemistryImage (mathematics)GeneticsComputational Drug Discovery MethodsProtein Structure and DynamicsViral Infectious Diseases and Gene Expression in Insects