Details of Grant 

EPSRC Reference:	GR/N38466/01
Title:	THE PREDICTION OF BINDING CONSTANTS AND COOPERATIVITY
Principal Investigator:	Williams, Professor D
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department:	Chemistry
Organisation:	University of Cambridge
Scheme:	Standard Research (Pre-FEC)
Starts:	12 February 2001	Ends:	11 February 2004	Value (£):	170,648
EPSRC Research Topic Classifications:	Biological & Medicinal Chem. Cells Chemical Structure Drug Formulation & Delivery
EPSRC Industrial Sector Classifications:	Pharmaceuticals and Biotechnology
Related Grants:
Panel History:
Summary on Grant Application Form
In prior work, we have described ligand/receptor interactions in terms of the costs of locating the ligand on the receptor and the restriction of internal rotations of the ligand, balanced against the benefits of making polar interactions in the binding site and the exercise of the hydrophobic effect. The approach is successful in the prediction of binding constants with a standard duration of 1.7 log units in K, but is compromised by the lack of consideration of cooperativity. Positive and negative cooperativity will now be studied by NMR calorimetry. The proposal seeks to understand the physical basis for binding energy that occurs other than at the interface made in the ligand/receptor association.
Key Findings
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Organisation Website:	http://www.cam.ac.uk