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doi: 10.1016/j.neuint.2017.05.019 73 KoronowskiK

10.1172/jci.insight.140627 JCI Insight

Induced-fit docking of GSSG to GLRX All the protein-ligand docking was performed with the Induced Fit Docking (IFD) package 60 with the GSSG molecule minimized in solvent using DFT calculations (B3LYP-6-31G**) and QM-calculated partial charges