High-throughput virtual screening of potential inhibitors of GPR52 using docking and biased sampling method for Huntington’s disease therapy
Himanshi Gupta, Shakti Sahi
Topics & Concepts
Virtual screeningDocking (animal)ChemistryHuntingtin ProteinHuntingtinBinding siteHigh-throughput screeningHydrogen bondMolecular dynamicsHuntington's diseaseComputational biologyBiophysicsPharmacologyComputational chemistryBiochemistryGeneMoleculeDiseaseBiologyMedicineMutantNursingPathologyOrganic chemistryReceptor Mechanisms and SignalingGenetic Neurodegenerative DiseasesCardiac electrophysiology and arrhythmias