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Ligand-based 3D pharmacophore modeling, virtual screening, and molecular dynamic simulation of potential smoothened inhibitors

Alireza Mohebbi

2023Journal of Molecular Modeling13 citationsDOI

Topics & Concepts

PharmacophoreSmoothenedVirtual screeningChemistryDocking (animal)Ligand (biochemistry)Molecular dynamicsHedgehogComputational biologyBiochemistryStereochemistryBiologySignal transductionReceptorMedicineComputational chemistryNursingHedgehog Signaling Pathway StudiesCancer-related Molecular PathwaysNeurological diseases and metabolism
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