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Project : Cellmate
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From the spatial scale
of tens of Angstroms characterizing single proteins, to the scale
of tens and hundreds of microns and beyond characterizing cells and
tissue, networked filamentary structures dominate the biological landscape.
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This project,
in collaboration with Intel, draws
on our strengths in the computational modeling of such structures,
and on our expertise in technologies for three dimensional interaction,
to create a virtual cell mechanics model with a Reach-In interface.
Within this system the user constructs, and interacts with, the virtual
cell in three dimensions.
A more complete understanding of the effects of drug binding to particular
proteins involves studying attendant changes in cytoskeletal structure
and the transmission of stresses within the cell. It is anticipated
that the incorporation of protein interactions into Cellmate will
allow the evaluation of the interaction of a drug with the entire
cell, with the binding of the anti-cancer drug taxol to tubulin (which
assembles into microtubules) as an archetypal example. Significant
applications to pharmaceutical design are foreseen. |
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