Discovery Projects - Grant ID: DP150101097

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP150101097

Funding Status
Closed

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Funded Activity Summary

Force Fields for Structure Refinement and Computational Drug Design. The ability to model molecular systems at an atomic level, as used in protein structure refinement or computational drug design, is critically dependent on the accuracy with which inter-atomic interactions are represented. Highly optimised and well-validated interaction parameters are available for common biomolecules, such as amino acids, sugars and lipids, but not for co-factors, substrates and potential drug molecules, or other molecules of interest such as polymers and dendrimers. The aim of this project is to develop and validate geometric and interaction parameters (force fields) for complex organic molecules and use these to facilitate bio-molecular structure refinement and computational drug design.

Funded Activity Details

Start Date: 01-01-2015

End Date: 30-12-2018

Funding Scheme: Discovery Projects

Funding Amount: $354,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Theoretical and Computational Chemistry not elsewhere classified | Medicinal and Biomolecular Chemistry | Biomolecular Modelling and Design | Structural Biology (incl. Macromolecular Modelling) |

ANZSRC Socio-Economic Objective (SEO)

Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Biological Sciences | Expanding Knowledge in the Medical and Health Sciences

Other Keywords

Biomolecular Modelling and Design | Expanding Knowledge in the Biological Sciences | Expanding Knowledge in the Chemical Sciences | Expanding Knowledge in the Medical and Health Sciences | Medicinal and Biomolecular Chemistry | Structural Biology (incl. Macromolecular Modelling) | Theoretical and Computational Chemistry not elsewhere classified

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