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Computational studies of macromolecular recognition using graph theoretical techniques

Reference	B09168
Principal Investigator / Supervisor	Professor Peter Artymiuk
Co-Investigators / Co-Supervisors	Professor Peter Willett
Institution	University of Sheffield
Department	Molecular Biology and Biotechnology
Funding type	Research
Value (£)	150,622
Status	Completed
Type	Research Grant
Start date	01/09/1998
End date	01/09/2001
Duration	36 months

Abstract

We shall develop and evaluate the use of novel computational approaches to the problem of the theoretical docking of macromolecular surfaces. This will require the development of our current successful graph-theoretical sidechain-matching methodologies to explore the complex problem of examining optimal inter-macromolecular interactions. New graph-matching algorithms will be required to allow the processing of the larger graphs that it will be necessary to analyse. These methods will permit the identification of specific interactions, incorporating allowance for conformational change and flexibility.

Summary

unavailable

Committee	Closed Committee - Biomolecular Sciences (BMS)
Research Topics	X – not assigned to a current Research Topic
Research Priority	X – Research Priority information not available
Research Initiative	X - not in an Initiative
Funding Scheme	X – not Funded via a specific Funding Scheme

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