A virtual screening framework based on the binding site selectivity for small molecule drug discovery
Xinhao Che, Qilei Liu, Fang Yu, Lei Zhang, Rafiqul Gani
Topics & Concepts
Virtual screeningDrug discoverySelectivityDrugSmall moleculeCombinatorial chemistryChemistryMoleculeComputational biologyComputer sciencePharmacologyMedicineOrganic chemistryBiologyBiochemistryCatalysisComputational Drug Discovery MethodsClick Chemistry and ApplicationsProtein Structure and Dynamics