AI-based prediction of new binding site and virtual screening for the discovery of novel P2X3 receptor antagonists
Koon Mook Kang, Ingoo Lee, Hojung Nam, Yong‐Chul Kim
Topics & Concepts
PharmacophoreVirtual screeningChemistryDrug discoveryDocking (animal)Chemical databaseComputational biologyBinding siteLigand (biochemistry)Binding pocketArtificial intelligenceCombinatorial chemistryStereochemistryComputer scienceReceptorBiochemistryBiologyOrganic chemistryNursingMedicineChemical Synthesis and AnalysisClick Chemistry and ApplicationsSynthesis and Catalytic Reactions