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Thesis

Stratagems for effective function evaluation in computational chemistry

Abstract:

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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Role:
Supervisor
Role:
Supervisor
Institution:
University of Oxford
Research group:
Spatial Reasoning Group
Oxford college:
Keble College
Department:
Mathematical,Physical & Life Sciences Division - Computing Laboratory
Publication date:
2010
Type of award:
DPhil
Level of award:
Doctoral
URN:
uuid:8843465b-3e5f-45d9-a973-3b27949407ef
Local pid:
ora:4546

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