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Computational applications to molecular recognition and design of novel biomolecules


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.

Call for proposal

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University College London
5 Gower Street
WC1E 6BT London
United Kingdom

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Participants (1)

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