| EPSRC Reference: |
EP/B000222/1 |
| Title: |
WORKSHOP: 4th International Symposium on Algorithms for Macromolecular Modelling |
| Principal Investigator: |
Leimkuhler, Professor B |
| Other Investigators: |
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| Department: |
Mathematics |
| Organisation: |
University of Leicester |
| Scheme: |
Standard Research (Pre-FEC) |
| Starts: |
21 June 2004 |
Ends: |
20 June 2005 |
Value (£): |
9,420
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| EPSRC Research Topic Classifications: |
| Chemical Structure |
Continuum Mechanics |
| Logic & Combinatorics |
Theoretical biology |
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Summary on Grant Application Form |
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Molecular simulation is now a standard tool in a vast plethora of chemical processes ranging from applications in nanotechnology to the identification and prediction of biomolecular structure and function. The developers of new algorithms for macromolecular modelling are spread across departments ranging from mathematics and computer science to chemistry, biophysics and medicine. There is a continuing demand for high quality algorithms and supportive theory for high performance computations. In 1994, a new series of meetings devoted to the methodology of macromolecular simulation was launched with a high-profile workshop held at the University of Kansas. Subsequent meetings, in Berlin and New York, have further established the series as a neutral international forum where the latest results are exchanged. The AM^3 series will make its UK debut in 2004 with a meeting at the University of Leicester focusing on the following topics: algorithms for force evaluation, integration, optimization, and sampling; methods for structure prediction, reaction paths, free energy profiles and conformational dynamics; modeling of force fields and implicit solvents; and multiscale techniques for quantum-classical and classical-elastic models. Funding is requested for core costs and for travel and accommodation costs for UK and EU-based speakers. Costs for attendance of US-based speakers are expected to be met by US funding bodies.
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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 |
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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.le.ac.uk |