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There is now a CONTENT FREEZE for Mercury while we switch to a new platform. It began on Friday, March 10 at 6pm and will end on Wednesday, March 15 at noon. No new content can be created during this time, but all material in the system as of the beginning of the freeze will be migrated to the new platform, including users and groups. Functionally the new site is identical to the old one. webteam@gatech.edu
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Prof. Lillian Chong, University of Pittsburgh
Molecular simulations of protein binding and switching
Physical Chemistry Seminar Series
A major challenge in the field of biomolecular simulations is to access the long-timescale dynamics of biologically relevant protein motions such as the relative motions of protein domains and allosteric transitions. My group uses a variety of approaches for providing detailed views of such motions that might aid the design of molecular sensors or therapeutics. In this talk, I will present recent applications to the simulation of large-scale conformational changes in bi-functional, two-domain protein switches, molecular association kinetics, and how nature might correct for âmistakesâ in binding geometry for a model protein-peptide complex.
For more information contact Prof. Rigoberto Hernandez (404-894-0594) or Prof. Raquel Lieberman (404-385-3663).
