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Molecular dynamics simulations of GLRX and complexes Using the crystal structure of GLRX (PDB ID: 4RQR, Uniprot ID: P35754), we constructed models of GLRX wild type and mutants (C83S, C8S, and C79S) as well as the GLRX dimers for molecular dynamics (MD) simulations, using Protein Preparation Wizard (Pymol, Schrödinger, Inc.) and the relaxation strategy in our prior work 52
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