Thesis
Stratagems for effective function evaluation in computational chemistry
- Abstract:
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In recent years, the potential benefits of high-throughput virtual screening to the drug discovery community have been recognized, bringing an increase in the number of tools developed for this purpose. These programs have to process large quantities of data, searching for an optimal solution in a vast combinatorial range. This is particularly the case for protein-ligand docking, since proteins are sophisticated structures with complicated interactions for which either molecule might reshape ...
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Authors
Contributors
+ Cameron, S
Division:
MPLS
Department:
Computer Science
Role:
Supervisor
+ Voiculescu, I
Division:
MPLS
Department:
Computer Science
Role:
Supervisor
Bibliographic Details
- Publication date:
- 2010
- Type of award:
- DPhil
- Level of award:
- Doctoral
- Awarding institution:
- University of Oxford
Item Description
- Language:
- English
- Keywords:
- Subjects:
- UUID:
-
uuid:8843465b-3e5f-45d9-a973-3b27949407ef
- Local pid:
- ora:4546
- Deposit date:
- 2010-12-03
Terms of use
- Copyright holder:
- Gwyn Skone
- Copyright date:
- 2010
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