Gohlke Group

Group leader

Title

Name

First Name

Position

Prof. Dr.

Gohlke

Holger

Prof. of Pharmaceutical & Medicinal Chemistry

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BioStruct Fellow

Title

Name

First Name

Position

M.Sc.

Saini

Jagmohan

PhD student

undefinedFor more information on the biostruct fellow click here...

Further Team Members

Technicians:

2

Master/Diploma students

1

PHD/MD students:

10


Contact

Holger Gohlke
Institute of Pharmaceutical and Medicinal Chemistry
Heinrich-Heine-University
Universitätsstr. 1
40225 Düsseldorf
Germany

Tel:  +49 211 81-13662
Fax:  +49 211 81-13847


undefinedwebsitehttp://cpclab.uni-duesseldorf.de

Expertise in Structural Biology

  • Structural and molecular bioinformatics
  • Molecular dynamics simulations
  • Free energy calculations

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Main areas of research interest

  • Molecular recognition involving proteins and RNA as targets
  • Protein-protein interactions
  • Cotranslational processes in the ribosomal exit tunnel
  • Linking biomacromolecular structure, dynamics, and function
  • Development of structural and molecular bioinformatics tools

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Laboratory Equipment

General equipment available in the laboratories:

  • Biocomputing


Special equipment, which is not generally available in most laboratories:

  • High performance compute cluster
  • Graphics and compute workstations


Non-standard methods, which are established in the laboratory:

  • Molecular dynamics simulations
  • Free energy methods
  • Graph theory-based flexibility / rigidity analysis
  • Docking approaches

Important references

  • Gohlke, H., Kiel, C., Case, D. A. (2003). Insights into protein-protein binding by binding free energy calculation and free energy decomposition for the Ras-Raf and Ras-RalGDS complexes. J. Mol. Biol., 330, 891-913.
  • Gohlke, H., Thorpe, M. F. (2006). A natural coarse graining for simulating large biomolecular motion. Biophys. J., 91, 2115-2120.
  • Fulle, S., Gohlke, H., (2008). Analyzing the flexibility of RNA structures by constraint counting. Biophys. J., 94, 4202-4219.
  • Radestock, S., Gohlke, H. (2008). Exploiting the link between protein rigidity and thermostability for data-driven protein engineering. Eng. Life Science, 8, 507-522.
  • Fulle, S., Gohlke, H. (2009). Statics of the ribosomal exit tunnel: Implications for co-translational peptide folding, elongation regulation, and antibiotics binding. J. Mol. Biol., 387, 502-517.

Cooperators

  • Grez, Manuel, Dr., Georg-Speyer-Haus, Frankfurt, Germany
  • Engels, Joachim, Prof. Dr., Goethe-University, Frankfurt, Germany
  • Schwalbe, Harald, Prof. Dr., Goethe-University, Frankfurt, Germany
  • Thorpe, Mike, Prof. Dr., Arizona State University, Tempe, AZ, USA
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