Details of Award
NERC Reference : NE/X007472/1
Modeling Protein-Ligand Cryo-EM Structures with Neural Network Potentials
Grant Award
- Principal Investigator:
- Dr JI Skipper, University College London, Experimental Psychology
- Grant held at:
- University College London, Experimental Psychology
- Science Area:
- None
- Overall Classification:
- Unknown
- ENRIs:
- None
- Science Topics:
- Biomolecular Function
- Biomolecular imaging
- Biomolecular Structure
- Chemical biology
- Drug discovery
- Macromolecular structure/func.
- Protein Structure & Function
- Chemical Biology
- 3D Structure
- Protein complexes
- Protein function
- Protein ligand interaction
- Protein structure
- Structural biology
- Structural proteomics
- Structural biology
- G-protein coupled receptors
- Ligands
- Protein-protein interactions
- Receptor binding
- Receptors
- Receptors
- Proteomic databases
- Proteomics
- Structural proteomics
- Proteomics
- Cryomicroscopy
- Computational chemistry
- Tools for the biosciences
- Abstract:
- BBSRC : Regan Harle : BB/T008709/1 Drugs act by binding to a target protein. Determining the three-dimensional shape the complex between a drug and a protein is challenging, particularly when the protein spans the membrane separating the interior and exterior of a cell. Cryo-electron microscopy allows these structures to be measured experimentally, but often the resolution is too low to aid the development of new drugs. We will combine this technique with artificial intelligence protein structure determination and computer simulations to determine the structures of drug-bound structures with minimal direction by the user but with a level of resolution that had not been possible in the past. I will be trained in machine learning, molecular simulation, and artificial-intelligence protein structure prediction.
- NERC Reference:
- NE/X007472/1
- Grant Stage:
- Completed
- Scheme:
- NC&C NR1
- Grant Status:
- Closed
- Programme:
- Globalink Placement
This grant award has a total value of £10,449
FDAB - Financial Details (Award breakdown by headings)
| Exception - Other Costs |
|---|
| £10,450 |
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