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Proceedings Paper

Visualization of force fields in protein structure prediction
Author(s): Clark Crawford; Oliver Kreylos; Silvia Crivelli; Bernd Hamann
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Paper Abstract

The force fields used in molecular computational biology are not mathematically defined in such a way that their representation would facilitate a straightforward application of volume visualization techniques. To visualize energy, it is necessary to define a spatial mapping for these fields. Equipped with such a mapping, we can generate volume renderings of the internal energy states of a molecule. We describe our force field, the spatial mapping that we use for energy, and the visualizations that we produce from this mapping. We provide images and animations that offer insight into the computational behavior of the energy optimization algorithms that we employ.

Paper Details

Date Published: 16 January 2006
PDF: 9 pages
Proc. SPIE 6060, Visualization and Data Analysis 2006, 606013 (16 January 2006); doi: 10.1117/12.643670
Show Author Affiliations
Clark Crawford, Univ. of California, Davis (United States)
Oliver Kreylos, Univ. of California, Davis (United States)
Silvia Crivelli, Lawrence Berkeley National Lab. (United States)
Bernd Hamann, Univ. of California, Davis (United States)

Published in SPIE Proceedings Vol. 6060:
Visualization and Data Analysis 2006
Robert F. Erbacher; Jonathan C. Roberts; Matti T. Gröhn; Katy Börner, Editor(s)

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