Bio-X Graduate Student Fellow

Awarded in 2008
Home Department: Bioengineering
Faculty Advisor: Russ Altman (Bioengineering, Genetics)

Research Title: Predicting Protein Function and Protein-Ligand Interactions through Machine Learning

Research Description: Fragment-based drug design, a drug discovery approach, takes small chemical compounds that bind to the protein target and expands or combines them into larger compounds with potent effects on the protein target. Crucial to this process is the identification of the starting small compounds (fragments). The increasing availability of 3D protein structures in complex and diverse chemical compounds provides a valuable source of information on the binding preferences of these compounds. Thus, the Altman lab is using unsupervised machine learning algorithms to identify these binding preferences and to apply this knowledge to drug design and drug repurposing.


Grace is a principal staff machine learning engineer (trust and fairness AI) at LinkedIn.