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Thesis

Improving rapid affinity calculations for drug-protein interactions

Abstract:

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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Institution:
University of Oxford
Division:
MSD
Department:
Biochemistry
Research group:
Biggin Group
Oxford college:
St Anne's College
Role:
Author

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Role:
Supervisor
Role:
Supervisor
Publication date:
2013
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford
Language:
English
Keywords:
Subjects:
UUID:
uuid:62ccfb5e-10f1-40ec-9a2b-936277944d87
Local pid:
ora:10449
Deposit date:
2015-03-05

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