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Old July 30, 2011, 07:25 PM
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Default Folding To Use [email protected] Results In New Projects.

Courtesy of our fellow Folders over at FAH-Addict.net

This news may be of interest to contributors to both BOINC and [email protected] It is not the often-requested integration of [email protected] into the BOINC system, merely complementary work on both platforms.

The project of interest is [email protected], run by David Baker's laboratory at the University of Washington. [email protected]'s goal is to predict the three-dimensional structure of the proteins it studies. The approach used is to test, by studying the energy of the molecular structures, the stability of various forms of the molecule, and predict which form is most likely to be stable.

TJ Lane tells us that the Pande Group is using some of [email protected]'s results as the basis for some [email protected] projects. Rosetta provides the most likely structure, but without further analysis it is not known for definite whether this is the form the molecule takes, or even if that form is viable. TJ's projects model the predicted forms in Gromacs and then test them through the Molecular Dynamics simulations that all [email protected] projects use, to attempt to verify Rosetta's results. Additionally, [email protected]'s methods allow for additional information to be gathered at the atomic level, along with detail on the methods that allow the molecule to change from one form to another.

[email protected] is therefore a starting point for TJ's research, focussing on those results most useful in relation to other [email protected] research. The projects referred to in this article are those in the 7600 series.
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