Curriculum

• since 10/2016: Postdoc at the Institute for Evolution and Biodiversity, University of Muenster
• 10/2015 - 09/2016: Postdoc in the group of Prof. Dr. Frank Boeckler
• 07/2010 - 10/2015: PhD student in the group of Prof. Dr. Frank Boeckler, Molecular Design & Pharm. Biophysics, Eberhard-Karls-University Tuebingen; Title: "Using Theoretical and Biophysical Techniques to Study the Applicability of Halogen Bonds in Molecular Design"
• 05/2008 - 05/2010: MSc Chemistry, Ludwig-Maximilians-University, Munich; Title: "Towards Broader Recognition of Halogen Bonds in Drug Design - Quantum Mechanical Calculations on the Interaction of Amino Acid Models with Selected Ligand Systems"
• 10/2004 - 02/2008: BSc Chemistry and Biochemistry, Ludwig-Maximilians-University, Munich

Research interests

• Purification and characterization of de novo proteins
• Structural investigation of proteins through CD, NMR, X-Ray
• Theoretical and experimental study of protein-ligand interactions

Publications

• Tri- and Tetra-substituted Pyridinylimidazoles as Covalent Inhibitors of c-Jun N-Terminal Kinase 3
  Felix Muth*, Ahmed El-Gokha*, Francesco Ansideri, Michael Eitel, Eva Döring, Adrian Sievers-Engler, Andreas Lange, Frank M. Boeckler, Michael Laemmerhofer, Pierre Koch, and Stefan A. Laufer
  J. Med. Chem, 2017, 60 (2), pp 594–607
• Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and Glutamine
  Markus O. Zimmermann, Andreas Lange, Stefan Zahn, Thomas E. Exner & Frank M. Boeckler
  J. Chem. Inf. Model., 2016, 56 (7), pp 1373–1383
• Fluorescence polarization-based assays for detecting compounds binding to inactive JNK3 and p38alpha MAP kinase
  Francesco Ansideri, Andreas Lange, Ahmed El-Gokha, Frank M. Boeckler & Pierre Koch
  Anal. Biochem., 2016, 503, pp 28 - 40
• Targeting the Gatekeeper MET146 of C-Jun N-terminal Kinase 3 (JNK3) Induces a Bivalent Halogen / Chalcogen Bond
  Andreas Lange*, Marcel B. Guenther*, Felix M. Büttner, Markus O. Zimmermann , Johannes Heidrich, Susanne Hennig, Stefan Zahn, Christoph Schall, Adrian Sievers-Engler, Francesco Ansideri, Pierre Koch, Michael Laemmerhofer, Thilo Stehle, Stefan A. Laufer & Frank M. Boeckler
  J. Am. Chem. Soc., 2015, 137 (46), pp 14640–14652
• Evaluating the Potential of Halogen Bonding in Molecular Design: Automated Scaffold Decoration Using the New Scoring Function XBScore
  Markus O. Zimmermann, Andreas Lange, and Frank Michael Boeckler
  J. Chem. Inf. Model, 2015, 55 (3), pp 687–699
• Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery
  Markus O. Zimmermann*, Andreas Lange*, Rainer Wilcken*, Markus B. Cieslik, Thomas E. Exner, Andreas C. Joerger, Pierre Koch, Frank M Boeckler
  Fut. Med. Chem., 2014, 6 (6), pp 617-639 (Perspective)
• Machine Learning Estimates of Natural Product Conformational Energies
  Matthias Rupp, Matthias R. Bauer, Rainer Wilcken, Andreas Lange, Michael Reutlinger, Frank M. Boeckler, Gisbert Schneider
  PLOS Computational Biology, 2014, 10 (1)
• Targeting histidine sidechains in molecular design through nitrogen-halogen bonds
  Andreas Lange, Markus O. Zimmermann, Rainer Wilcken, Stefan Zahn and Frank M. Boeckler
  J. Chem. Inf. Model., 2013, 53 (12), pp 3178–3189
• Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology
  Rainer Wilcken*, Markus O. Zimmermann*, Andreas Lange*, Andreas C. Joerger and Frank M. Boeckler
  J. Med. Chem., 2013, 56 (4), pp 1363–1388 (Perspective)
• Using halogen bonds to address the protein backbone: a systematic evaluation
  Rainer Wilcken, Markus O. Zimmermann, Andreas Lange, Stefan Zahn, Frank M. Boeckler
  J Comput Aided Mol Des, 2012, 26 (8), pp 935 - 945
• Addressing Methionine in Molecular Design through Directed Sulfur–Halogen Bonds
  Rainer Wilcken, Markus O. Zimmermann, Andreas Lange, Stefan Zahn, Barbara Kirchner, Frank M. Boeckler
  J. Chem. Theory Comput., 2011, 7 (7), pp 2307–2315