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Model of Esperamicin A1 (Image 3)
Caption:
A molecular model of esperamicin A1, an enediyne. Highlighted critical portions show layers where the research team performed the most intensive calculations.
Enediynes are naturally occurring molecules commonly called biological warheads for their ability to bind to and split tumor's DNA backbones. A team of undergraduate physical, biological, and computational chemists at New York's Hamilton College have been studying this mechanism in the hopes of making this a more viable cancer treatment. Computations were performed on the National Center for Supercomputing Applications (NCSA) SGI Origin2000 supercomputer, purchased primarily with funds from the National Science Foundation. [Structure comes from R.A. Kumar, N. Ikemoto, and D. J. Portel, J. Mol. Biol, 265 173-186 (1997).] [See also, Model of Esperamicin A1 Image 1 and Image 2.]
(Preview Only)
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| Credit: |
Images by Steven Feldgus; simulation completed using computational resources provided by the National Center for Supercomputing Applications (NCSA) |
| Year of Image: |
2002 |
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Categories:
CHEMISTRY / General
COMPUTERS / Supercomputing
Formats Available:
Restrictions:
No additional restrictions--beyond NSF's general restrictions--have been placed on this image. For a list of general restrictions that apply to this and all images in the NSF Image Library, see the section "Conditions".
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