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Author
Title Docking a Metal Nanoparticle to a Protein Surface
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Publication Date
Date Accessioned
University/Publisher George Mason University
Abstract This thesis develops a mathematical and computational methodology for modeling electrostatic interactions between a spherical electrode and the photosynthetic reaction center (PRC) of the Rhodobacter Sphaeroides bacteria. A PRC is a protein-pigment complex capable of photosynthetic reaction, converting light energy into chemical energy. Recent studies suggest it is possible to use PRCs in the construction of next generation photovoltaic devices. Modeling the electrostatic interactions between an electrode and a PRC to find a position that optimizes electron transfer could improve efficiency of technologies that use PRCs to generate electric current. The position is found by minimizing the total electrostatic energy of the PRC-electrode complex. The resulting nonlinear optimization problem can be solved reliably using a Sequential Quadratic Programming algorithm. The model will provide the PRC-electrode structure even as the problem grows in scope. It can be used as a tool for designing future technologies that take advantage of direct electron transfer between electrodes and proteins.
Subjects/Keywords docking; protein; photo voltaic; electrode; Method of Images
Contributors Griva, Igor (advisor)
Language en
Country of Publication us
Record ID handle:1920/9140
Repository gmu
Date Retrieved
Date Indexed 2020-01-06
Issued Date 2015-02-02 00:00:00

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…Sequential Quadratic Programming............................................................................... SQP ix ABSTRACT DOCKING A METAL NANOPARTICLE TO A PROTEIN SURFACE Jonathan Perkins, M.S. George Mason University, 2014 Thesis Director: Dr…

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