:: Home | Deutsch | Print ::

Prosurf - Computational Toolbox for Protein-Surface Docking

Recent experiments show that proteins can be specifically oriented on inorganic surfaces. However, at present the principles regulating protein-surface interactions are poorly understood, thus hindering the effective exploitation of such specificity in scientific and technological application. What features of the surface and of the proteins (electronic, structural, morphological) determine which protein is able to bind to a given surface and how? PROSURF will address these issues and develop computational tools to enable rational design of protein-surface associations. 

In PROSURF, the strategy to probe the determinants of protein-surface specificity, and to implement the envisaged computational tools, integrates state-of-the-art computational techniques and experiments. It consists of a series of computational steps, including quantum-mechanics based parameterisation of protein-surface interactions, molecular dynamics simulation of proteins on surfaces, and the implementation of protein-surface docking software, corroborated by tailored experiments. Although the focus of the project is on theory, feedback from experiments will be important both to validate the computational tools, and to gain new insight into the basis of protein-surface interactions.  
 
The PROSURF project is being carried out by six research groups from three countries. The Prosurf project is supported by the EU in the 6th Framework Program as a NEST ADVENTURE STREP (specific targeted research or innovation project).

For more information, see: www.s3.infm.it/prosurf.


 Sponsors:       Partners:         
  • EU
  • KTS gGmbH (Klaus Tschira Foundation)

 
  • University of Modena and Reggio Emilia, Italy (Prof. Elisa Molinari) Coordinator
  • INFM-CNR National Research Center S3, Italy (Dr. Stefano Corni)
  • EML Research, Germany (Dr. Rebecca Wade)
  • Ludwig Maximilians University, Munich, Germany (Dr. Kay Gottschalk)
  • Weizmann Institute, Israel (Dr. Gideon Schreiber (Biochemistry), Dr. Israel Rubinstein, Dr. Alexander Vaskevich (Nanomaterials))


 
Group Leader
Dr. Rebecca Wade
Email: [email protected]
Phone: +49 (0)6221 - 533 - 247
Fax: +49 (0)6221 - 533 - 298
more >>


Research Staff
Dr. Peter Winn
Email: [email protected]
Phone: +49 (0)6221 - 533 - 269
Fax: +49 (0)6221 - 533 - 298
more >>




 
page last modified: Friday, 13.07.2007



Project Manager

Dr. Rebecca Wade
Email:
Phone: +49 (0)6221 - 533 - 247

Fax: +49 (0)6221 - 533 - 298

more >>



© EML Research gGmbH