Structure-based ligand discovery: elaborating fragment hits in silico

Thesis

The high attrition rates of drug discovery have been a key motivation for the development of computational methods to design better, safer, more promising molecules. Hit-to-lead development is often driven by the subjective decisions of medicinal chemists. There is growing interest in developing more objective tools to explore the vastness of chemical space. Fragment-based drug discovery offers the advantage of a high coverage of chemical space through the identification of fragment hits, ...

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Authors: Leung, SH

• Type of award: DPhil
• Level of award: Doctoral
• Awarding institution: University of Oxford
• Language: English