Comparing molecular dynamics-derived pharmacophore models with docking: A study on CDK-2 inhibitors
Giulia Culletta, Anna Maria Almerico, Marco Tutone
Topics & Concepts
PharmacophoreVirtual screeningCyclin-dependent kinaseDocking (animal)Computational biologyMolecular dynamicsChemistryComputer scienceStereochemistryComputational chemistryBiochemistryBiologyMedicineCellNursingCell cycleComputational Drug Discovery MethodsProtein Degradation and InhibitorsAdvanced Breast Cancer Therapies