EPSRC Reference: |
GR/M80796/01 |
Title: |
COMPUTATIONAL STUDIES OF MOLECULAR STRUCTURE, DYNAMICS, RECOGNITION AND REACTIVITY |
Principal Investigator: |
Laughton, Professor C |
Other Investigators: |
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Researcher Co-Investigators: |
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Project Partners: |
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Department: |
Sch of Chemistry |
Organisation: |
University of Nottingham |
Scheme: |
Standard Research (Pre-FEC) |
Starts: |
30 September 1999 |
Ends: |
29 September 2002 |
Value (£): |
59,813
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EPSRC Research Topic Classifications: |
Biological & Medicinal Chem. |
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EPSRC Industrial Sector Classifications: |
Chemicals |
Pharmaceuticals and Biotechnology |
No relevance to Underpinning Sectors |
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Related Grants: |
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Panel History: |
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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.
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Key Findings |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Potential use in non-academic contexts |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
Description |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk |
Summary |
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Date Materialised |
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Sectors submitted by the Researcher |
This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Project URL: |
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Further Information: |
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Organisation Website: |
http://www.nottingham.ac.uk |