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| General Section People Events Program Details |
Postdoctoral Fellow
My postdoctoral research will focus on investigating the structural-energetic basis for the effect of local structural entropy (LSE) perturbations at key sites in thermophilic adenylate kinase (AK) on the flexibility of the enzyme and ultimately upon catalytic competence at room temperature, at which the wild-type enzyme has poor activity. Simulation of the open to closed transition in wild-type AK and flexibility-increased mutants will illuminate both mechanochemical changes and ensemble population shifts in the enzyme which are important to flexibility and functional motions. Another focus will be on analysis of the structural and energetic properties of the most designable sites in AK determined from the simulations toward principles for rationally designing flexibility into proteins. Such design rules could have many potential therapeutic applications in proteins where flexibility is critical to functions such as allosteric regulation. CV2008 CV (.pdf format) Publications
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