Modeling the expansion of virtual screening libraries
Jiankun Lyu, John J. Irwin, Brian K. Shoichet
Topics & Concepts
Virtual screeningDocking (animal)Chemical libraryComputer scienceComputational biologyMoleculeSmall moleculeRanking (information retrieval)ChemistryDrug discoveryBioinformaticsBiologyInformation retrievalBiochemistryNursingOrganic chemistryMedicineComputational Drug Discovery MethodsChemical Synthesis and AnalysisProtein Degradation and Inhibitors