| EPSRC Reference: |
GR/M55572/01 |
| Title: |
STRUCTURAL LANDSCAPES IN HYDROGEN-BONDED BIOMOLECULAR CLUSTERS |
| Principal Investigator: |
Simons, Professor JP |
| Other Investigators: |
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| Researcher Co-Investigators: |
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| Project Partners: |
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| Department: |
Oxford Chemistry |
| Organisation: |
University of Oxford |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
01 October 1999 |
Ends: |
30 September 2002 |
Value (£): |
301,152
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| EPSRC Research Topic Classifications: |
| Chemical Structure |
Instrumentation Eng. & Dev. |
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| EPSRC Industrial Sector Classifications: |
| Pharmaceuticals and Biotechnology |
No relevance to Underpinning Sectors |
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| Panel History: |
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Summary on Grant Application Form |
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The central practical aims will be to build upon our current successful research programme to characterise in detail, the conformational and structural landscapes of a series of biologically and pharmacologically important molecules, and the conformational and supra-molecular structures of their size-selected hydrated molecular clusters. This will be achieved through the analysis of mass-selected, laser-based experiments conducted at rotational and /or vibrational levels of resolution, supported by ab initio theoretical simulations (or simulations conducted at lower levels of theory, if and when appropriate).The central interpretative aim is to understand the way in which hydrogen-bonded (and 'non-bonded') interactions determine the molecular and electronic structures of isolated molecular and supra-molecular, hydrogen-bonded biomolecular assemblies and, thereby, how they may influence their physical, chemical and pharmacological behaviour. We also plan an exploratory study of chiral recognition in some model enantiomeric systems.
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Key Findings |
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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 |
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This information can now be found on Gateway to Research (GtR) http://gtr.rcuk.ac.uk
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Impacts |
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| 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 |
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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.ox.ac.uk |