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Grant Award View - GA2490-V1
Improving empirical force fields: a big-data approach.
GA ID:
GA2490-V1
Agency:
Australian Research Council
Approval Date:
10-Nov-2017
Variation Publish Date:
25-May-2021
Variation Date:
25-May-2021
Category:
Science, Technology, Engineering and Mathematics (STEM) Research
Grant Term:
1-Jan-2018 to 1-Jul-2021
Value (AUD):
$347,072.00
(GST inclusive where applicable)
Varies:
GA2490
- Improving empirical force fields: a big-data approach.
One-off/Ad hoc:
No
Aggregate Grant Award:
No
PBS Program Name:
ARC 17/18 Discovery
Grant Program:
Discovery Projects
Grant Activity:
Improving empirical force fields: a big-data approach.
Purpose:
This project aims to improve the ability to represent the thermodynamic properties of molecules of biological, pharmaceutical or materials interest by developing force fields capable of describing a diverse range of molecules both consistently and with high fidelity. The project aims to exploit a rapidly expanding, in-house database of parameterized molecular structures to develop highly optimised, well-validated parameters that are both consistent and transferable, enabling molecules of any size or complexity to be parameterised with a fidelity currently only possible for simple organics. This will provide significant benefits, such as helping to improve the accuracy and reliability of ligand: protein complexes determined experimentally, a limiting factor in computational drug design.
Internal Reference ID:
DP18 Round 1
Selection Process:
Targeted or Restricted Competitive
Confidentiality - Contract:
No
Confidentiality - Outputs:
No
Grant Recipient Details
Recipient Name:
The University of Queensland
Recipient ABN:
63 942 912 684
Grant Recipient Location
Suburb:
ST LUCIA
Town/City:
ST LUCIA
Postcode:
4067
State/Territory:
QLD
Country:
AUSTRALIA
Grant Delivery Location
State/Territory:
QLD
Postcode:
4067
Country:
AUSTRALIA