Discovery Projects - Grant ID: DP0346292

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP0346292

Funding Status
Closed

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Funded Activity Summary

TOWARDS A COMPLETE DESCRIPTION OF HOW ENZYMES WORK: development of simulation methods and protocols, blind test predictions, and experimental validation. Enzymes catalyze quite fantastic chemistry under mild physiological conditions. Many special chemical concepts (such as "transition-state stabilization" and "entropy-enthalpy compensation") proposed to explain these powers are unnecessary. Uniquely for a catalyst, these powers are integral to the structure, properties and dynamics of the protein, as constrained and selected by evolution. The question is how do they work? Answering this requires energetic and thermodynamic analysis beyond current experimental techniques, but accessible by computer simulation. We aim to develop a robust toolkit of simulation methods and protocols, blind test them by predicting the mechanism of a new enzyme, with followup experimental validation.

Funded Activity Details

Start Date: 01-01-2003

End Date: 31-12-2005

Funding Scheme: Discovery Projects

Funding Amount: $245,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Enzymes | Theoretical And Computational Chemistry Not Elsewhere Classified | Theoretical and Computational Chemistry | Quantum Chemistry

ANZSRC Socio-Economic Objective (SEO)

Biological sciences | Chemical sciences | Other |

Other Keywords

Biological sciences | Chemical sciences | Enzymes | Other | Quantum Chemistry | Theoretical And Computational Chemistry Not Elsewhere Classified | Theoretical and Computational Chemistry

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