Supporting Information S1 - Molecular Dynamics Reveal Binding Mode of Glutathionylspermidine by Trypanothione Synthetase
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This file contains four sections: Section I: EcGspS and LmTryS binding site comparison. Section II: Trajectory Analysis: Ligand rmsd plots. Section III: Trajectory analysis of Gsp binding pocket using hierarchical clustering. Section IV: Hydrogen bonding analysis of final TryS model containing ATP, GSH, N8-Gsp and 2 Mg2+. (PDF)
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2015-12-02
