Full Paper

Pyrrolidine Derivatives as Plasmepsin Inhibitors: Binding Mode Analysis Assisted by Molecular Dynamics Simulations of a Highly Flexible Protein

  1. Torsten Luksch Dr.1,
  2. Andreas Blum Dr.1,
  3. Nina Klee1,
  4. Wibke E. Diederich Prof. Dr.1,
  5. Christoph A. Sotriffer Prof. Dr.1,2,
  6. Gerhard Klebe Prof. Dr.1

Article first published online: 28 JAN 2010

DOI: 10.1002/cmdc.200900452

Issue

ChemMedChem

ChemMedChem

Volume 5, Issue 3, pages 443–454, March 1, 2010

Additional Information

How to Cite

Luksch, T., Blum, A., Klee, N., Diederich, Wibke E., Sotriffer, Christoph A. and Klebe, G. (2010), Pyrrolidine Derivatives as Plasmepsin Inhibitors: Binding Mode Analysis Assisted by Molecular Dynamics Simulations of a Highly Flexible Protein. ChemMedChem, 5: 443–454. doi: 10.1002/cmdc.200900452

Author Information

  1. 1

    Philipps-Universität Marburg, Institut für Pharmazeutische Chemie, Marbacher Weg 6, 35032 Marburg (Germany), Fax: (+49) 6421-28-28994

  2. 2

    Current address: Universität Würzburg, Institut für Pharmazie und Lebensmittelchemie, Am Hubland, 97074 Würzburg (Germany)

Publication History

  1. Issue published online: 19 FEB 2010
  2. Article first published online: 28 JAN 2010
  3. Manuscript Revised: 18 DEC 2009
  4. Manuscript Received: 1 NOV 2009

Funded by

  • DFG

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