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Integrated use of ligand and structure-based virtual screening, molecular dynamics, free energy calculation and ADME prediction for the identification of potential PTP1B inhibitors

Drug TargetHit IdentificationBiochemistryMedicineNatural SciencesRational Drug DesignAdme PredictionMolecular BiologyFree Energy CalculationPotential Ptp1b InhibitorsMolecular RecognitionMolecular DockingMolecular DynamicsDrug Discovery