Molecular insights into the behavior of the allosteric and ATP-competitive inhibitors in interaction with AKT1 protein: A molecular dynamics study
Mohammad Reza Amiran, Majid Taghdir, Farzane Abasi Joozdani
Topics & Concepts
AKT1Allosteric regulationChemistryvan der Waals forceSerineMolecular dynamicsStereochemistryPhosphorylationBiochemistryBiophysicsMoleculeReceptorComputational chemistryBiologyOrganic chemistryProtein kinase BPI3K/AKT/mTOR signaling in cancerComputational Drug Discovery MethodsEnzyme function and inhibition