BME PhD Prospectus Defense - Zhuyezi (Julie) Sun
- Starts: 3:00 pm on Thursday, May 25, 2017
Title: “Modeling of Protein-Protein and Protein-Small Molecule Interactions” Committee: Sandor Vajda, BME (Chair, Advisor) Maxim Frank-Kamenetskii, BME Dmitri Beglov, BME Karen Allen, Chemistry Abstract: Protein-protein and protein-small ligand interactions serve as the basis for many biological processes such as metabolic control and cell signaling, which are important for drug design and development of diagnostics. Structural details of these interactions can be experimentally determined by X-ray crystallography or nuclear magnetic resonance (NMR) methods, whereas binding affinity can be measured by a variety of tools such as surface plasmon resonance. Nonetheless, for many protein-protein and protein-small molecule complexes, direct experimental analysis is either not possible or too time-consuming and expensive. Therefore, it is important to develop computational methods capable of predicting the structures of interacting complexes and their binding free energies. We aim to 1) construct statistical pairwise potentials for small molecules to improve the accuracy of our current binding hot spots mapping program; 2) develop a docking-based approach for predicting relative binding free energies with application to bacterial colicin-immunity protein complexes; and 3) apply the approach to modeling antibody affinity maturation.
- 44 Cummington Mall, room 203