Gohlke Group

Group leader

Title	Name	First Name	Position
Prof. Dr.	Gohlke	Holger	Prof. of Pharmaceutical & Medicinal Chemistry

 For more information on the principal investigator click here...

BioStruct Fellow

Title	Name	First Name	Position
M.Sc.	Saini	Jagmohan	PhD student

 For 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

 +49(0)211-81-13662
 +49(0)211-81-13847


website:
 http://cpclab.uni-duesseldorf.de

Expertise in Structural Biology

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

 For detailed information click here...

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

 See http://cpclab.uni-duesseldorf.de/research for more information.

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