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Details of Grant 

EPSRC Reference: GR/M80796/01
Title: COMPUTATIONAL STUDIES OF MOLECULAR STRUCTURE, DYNAMICS, RECOGNITION AND REACTIVITY
Principal Investigator: Laughton, Professor C
Other Investigators:
Armstrong, Professor A Williams, Professor PM Hayes, Professor CJ
Williams, Dr P Searle, Professor M
Researcher Co-Investigators:
Project Partners:
Department: Sch of Chemistry
Organisation: University of Nottingham
Scheme: Standard Research (Pre-FEC)
Starts: 30 September 1999 Ends: 29 September 2002 Value (£): 59,813
EPSRC Research Topic Classifications:
Biological & Medicinal Chem.
EPSRC Industrial Sector Classifications:
Chemicals Pharmaceuticals and Biotechnology
No relevance to Underpinning Sectors
Related Grants:
Panel History:  
Summary on Grant Application Form
A multi-disciplinary and interdepartmental team has been formed between research groups in the Schools of Pharmaceutical Sciences and Chemistry that studies problems of molecular structure, dynamics and recognition. These studies include: the prediction of macromolecular structure, the determination of macromolecular structure by NMR spectroscopy, new techniques for the analysis of surfaces and molecular interactions at the atomic level, and the design and synthesis of novel selective ligands. Many of these research projects involve the development and application of advanced computational methods. This application described how these projects would be enhanced by a dedicated high-performance computer facility, and how new research opportunities would become feasible. The two main applications the facility would be used for are molecular dynamics simulations and quantum mechanical simulations.
Key Findings
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Potential use in non-academic contexts
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Impacts
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Summary
Date Materialised
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Project URL:  
Further Information:  
Organisation Website: http://www.nottingham.ac.uk