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Washington and Lee University

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The Desjardins Research Group

The theoretical description of the rates of chemical reactions is given by the subject of chemical dynamics. As computers have gotten more powerful, chemists have been able to describe the time evolution of increasingly complicated chemical mechanisms. Still, the complexity of biochemical pathways is sufficient to make it difficult for a working biochemist to even write down the basic equations. We are working on using Maple software to generate the dynamic equations and simulate a pathway given only a basic schematic of the biochemical system. These schematics will look as much as possible like the mechanisms drawn in most biochemistry books. As an example, we will try to simulate the Malate-Aspartate shuttle, a fairly well known pathway that transfers an electron across the mitochondrial membrane.

 

The Desjardins Group