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"P2142"
For this project we return to an old project in a more sophisticated way. The simulated system is human aldose reductase, thought to be the cause of many long-term health consequences of diabetes, such as cataracts, renal failure, and peripheral nerve degeneration, which is studied by the Boxer Group here at Stanford. The experiments probe the molecular vibrations of two druglike inhibitors of the protein as a function of mutations in the protein, resulting in data concerning the electric fields of the inhibitor binding site. This has immense potential to teach us about how drugs, inhibitors, and substrates bind to proteins, and hence has potential impact in both medicine (how to treat disease), molecular biology (how biology works, on a molecular level), and traditional biochemistry (how biology works, on a chemical level).
Because of the very large size of the system (aldose reductase is 316 residues, plus a cofactor, plus the inhibitor, plus some 80,000 water atoms) these simulations take up a lot of memory, and so will be restricted to a subset of Folding@home clients, those which allow use of 200 Mb or more (note that this setting was changed from 100 Mb as of 9/22/06).
Points and deadlines:
p2142 - points 476, deadline 65 days"
Toss me on the diabetes list.
Struggling to keep my insulin effective without medication. Doctor says its something about being old, overweight, bad diet and sedentary.
Other than that ...