Thesis
Improving rapid affinity calculations for drug-protein interactions
- Abstract:
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The rationalisation of drug potency using three-dimensional structures of protein-ligand complexes is a central paradigm in medicinal research. For over two decades, a major goal has been to find the rules that accurately relate the structure of any protein-ligand complex to its affinity. Addressing this problem is of great concern to the pharmaceutical industry, which uses virtual screens to computationally assay up to many millions of compounds against a protein target. A fast and trustw...
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Funding
+ Oxford University Doctoral Training Centres, InhibOx Ltd
More from this funder
Funding agency for:
Ross, G
Bibliographic Details
- Publication date:
- 2013
- Type of award:
- DPhil
- Level of award:
- Doctoral
- Awarding institution:
- University of Oxford
Item Description
- Language:
- English
- Keywords:
- Subjects:
- UUID:
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uuid:62ccfb5e-10f1-40ec-9a2b-936277944d87
- Local pid:
- ora:10449
- Deposit date:
- 2015-03-05
Terms of use
- Copyright holder:
- Ross, G
- Copyright date:
- 2015
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