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Theoretical studies of the circular dichroism of peptides and proteins

ReferenceB15240
Principal Investigator / Supervisor Professor Jonathan Hirst
Co-Investigators /
Co-Supervisors
Institution University of Nottingham
DepartmentSch of Chemistry
Funding typeResearch
Value (£) 141,104
StatusCompleted
TypeResearch Grant
Start date 06/08/2001
End date 06/08/2004
Duration36 months

Abstract

Although circular dichroism (CD) spectroscopy is widely used to study proteins, the relationship between CD and the detailed structure of proteins is not yet fully understood. Under prior support from the National Science Foundation, we have developed first principles calculations of protein CD that reproduce for the first time all major features of the spectra in the far- ultraviolet. We propose to extend these calculations and make them more quantitative. We will use molecular dynamics simulations and CD calculations to study helical peptides, novel beta-hairpin forming peptides and the influence of conformation on the CD of proteins. We aim to deepen our understanding of the structure, dynamics and folding of polypeptides in solution.

Summary

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