Discovery Early Career Researcher Award - Grant ID: DE140100550

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DE140100550

Funding Status
Closed

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Funded Activity Summary

Quantum refinement of DNA X-ray structures. DNA carries the genetic map of life and refinement of its x-ray structures is a key tool to understand its functions. Standard refinement, however, relies strongly on empirical geometry constraints, and it is known that these can induce unphysical features. Quantum mechanical (QM) methods have now evolved to a level that offers an intriguing way out of this dilemma. In this project, state-of-the-art QM methods will be applied to DNA x-ray structures, and a unique quantum refinement scheme will be developed. Such a scheme will provide crystallographers with a new tool to determine DNA structures with greater accuracy and it will offer benefits to many areas of the life sciences that depend on such accurate structures.

Funded Activity Details

Start Date: 14-04-2014

End Date: 14-04-2017

Funding Scheme: Discovery Early Career Researcher Award

Funding Amount: $358,248.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Biomolecular Modelling and Design | Quantum Chemistry | Structural Biology (incl. Macromolecular Modelling) | Theoretical and Computational Chemistry

ANZSRC Socio-Economic Objective (SEO)

Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Biological Sciences |

Other Keywords

Biomolecular Modelling and Design | Expanding Knowledge in the Biological Sciences | Expanding Knowledge in the Chemical Sciences | Quantum Chemistry | Structural Biology (incl. Macromolecular Modelling) | Theoretical and Computational Chemistry

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