Computational applications to molecular recognition and design of novel biomolecules

Objective

The aim of this research work is to gain new fundamental knowledge about the molecular recognition process by combining advanced computational tools with structural data.
The rules which govern protein-heme recognition and the function of this biomolecular complex have already begun to be investigated and explored. New structural data, optimal molecular recognition features and the combination of global and local structural information of the protein-ligand complex will provide a knowledge-based tool to help to design a drug or / and novel protein molecule.
Finally the challenging goal of the current project is to extend the study of protein-ligand interactions and to use all this information as a model to design a simple heme - binding protein.

Programme(s)

• FP4-TMR - Specific research and technological development programme in the field of the training and mobility of researchers, 1994-1998

Topic(s)

• 0302 - Post-doctoral research training grants
• TL02 - Molecular Biology and Biochemistry

Funding Scheme

RGI - Research grants (individual fellowships)

Coordinator

University College London

Address

5 Gower Street
WC1E 6BT London
United Kingdom

Participants (1)

Not available

Greece