Visualization of force fields in protein structure prediction

Clark Crawford; Oliver Kreylos; Silvia Crivelli; Bernd Hamann

doi:10.1117/12.643670

16 January 2006 Visualization of force fields in protein structure prediction

Clark Crawford, Oliver Kreylos, Silvia Crivelli, Bernd Hamann

Proceedings Volume 6060, Visualization and Data Analysis 2006; 606013 (2006) https://doi.org/10.1117/12.643670
Event: Electronic Imaging 2006, 2006, San Jose, California, United States

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.

Citation Download Citation

Clark Crawford, Oliver Kreylos, Silvia Crivelli, and Bernd Hamann "Visualization of force fields in protein structure prediction", Proc. SPIE 6060, Visualization and Data Analysis 2006, 606013 (16 January 2006); https://doi.org/10.1117/12.643670

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