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Peggy Yao
Biomedical Informatics
Bio-X
Graduate Student Fellowships 2006/2007
Professor Jean-Claude Latombe (Computer Science)
In the study of protein-ligand binding, the conformational selection theory suggests that a protein exists as an ensemble of rapidly inter-converting folded conformations and that a ligand selects the most proper conformations to bind to. However, only a small number of conformations can be obtained experimentally, while existing simulation techniques are often too expensive to broadly sample folded conformation space. Peggy’s research will focus on designing new methods to efficiently sample protein conformations. She will use the linkage model together with rigidity analysis to develop a new, efficient protein conformation sampling method taking steric clash into account. |
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