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Thesis

Developing novel scoring functions for protein-ligand docking using machine learning

Abstract:

Structure-based drug discovery uses information about the structure of a protein to identify novel ligands that bind to the protein. The fundamental problem in structure-based drug discovery is predicting if, how, and how strongly a possible ligand binds to a protein. This is often accomplished using scoring functions to rapidly estimate the strength with which a ligand binds to a protein -- its binding affinity. This thesis explores the use of machine learning techniques to improve scoring ...

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Institution:
University of Oxford
Division:
MPLS
Department:
Statistics
Research group:
Oxford Protein Informatics Group
Oxford college:
Brasenose College
Role:
Author
ORCID:
0000-0002-4185-1229

Contributors

Institution:
University of Oxford
Department:
Statistics
Research group:
Oxford Protein Informatics Group
Role:
Supervisor
ORCID:
0000-0003-1731-8405
Department:
Statistics
Research group:
Oxford Protein Informatics Group
Role:
Supervisor
ORCID:
0000-0003-1388-2252
Type of award:
DPhil
Level of award:
Doctoral
Awarding institution:
University of Oxford
Language:
English
Keywords:
Subjects:
Deposit date:
2020-07-29

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