Undergraduate Thesis Or Project
 

Molecular Dynamics on REX-GECO1 Reveal Structural Features Governing Fluorescence

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https://ir.library.oregonstate.edu/concern/undergraduate_thesis_or_projects/2z10wx846

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  • Fluorescent proteins have emerged as an essential toolset for bioimaging, creating a demand for engineering proteins with new and improved fluorescent properties. In this thesis, I explore the atomistic structure of REX-GECO1, a newly engineered protein biosensor that has unique optical properties. Since this protein has no available crystal structure, understanding the relationship between its structure and properties is difficult. To overcome this challenge, I use molecular dynamics (MD) simulations to predict the protein's structure and use this information to identify structural features that influence fluorescence. Moreover, I use the simulations to obtain thermodynamic information that provides further detail about the protein. These findings will be useful for understanding data obtained from ongoing ultrafast spectroscopic studies.
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