Molecular Dynamics Reveal Binding Mode of Glutathionylspermidine by Trypanothione Synthetase

• Oliver Koch ,

  * E-mail: oliver.koch@tu-dortmund.de (OK); paul.selzer@msd.de (PMS)

  Current address: Chemical Biology, Faculty of Chemistry, TU Dortmund University, Dortmund, Germany

  Affiliations MSD Animal Health Innovation GmbH, Schwabenheim, Germany, MOLISA GmbH, Magdeburg, Germany

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• Daniel Cappel,

  Current address: Schrödinger GmbH, Mannheim, Germany

  Affiliation Institute of Pharmacy and Food Chemistry, University of Würzburg, Würzburg, Germany

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• Monika Nocker,

  Affiliation Institute of Pharmacy and Food Chemistry, University of Würzburg, Würzburg, Germany

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• Timo Jäger,

  Current address: Helmholtz Centre for Infection Research GmbH, Braunschweig, Germany

  Affiliation MOLISA GmbH, Magdeburg, Germany

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• Leopold Flohé,

  Affiliation Otto-von-Guericke-Universität, Magdeburg, Germany

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• Christoph A. Sotriffer,

  Affiliation Institute of Pharmacy and Food Chemistry, University of Würzburg, Würzburg, Germany

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• Paul M. Selzer

  * E-mail: oliver.koch@tu-dortmund.de (OK); paul.selzer@msd.de (PMS)

  Affiliations MSD Animal Health Innovation GmbH, Schwabenheim, Germany, Interfaculty Institute of Biochemistry, University of Tübingen, Tübingen, Germany, Wellcome Trust Centre for Molecular Parasitology and Division of Infection & Immunity, Faculty of Biomedical & Life Sciences, University of Glasgow, Glasgow, United Kingdom

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