Distance Geometry Optimization for Protein Structures

Authors:
Jorge J. Moré;Zhijun Wu
Affiliations:
Rice University, Houston, Texas, USA;Rice University, Houston, Texas, USA
Venue:
Journal of Global Optimization
Year:
1999

Citing 6
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Abstract

We study the performance of the {\dgs} code for the solution of distance geometry problems with lower and upper bounds on distance constraints. The {\dgs} code uses only a sparse set of distance constraints, while other algorithms tend to work with a dense set of constraints either by imposing additional bounds or by deducing bounds from the given bounds. Our computational results show that protein structures can be determined by solving a distance geometry problem with {\dgs} and that the approach based on {\dgs} is significantly more reliable and efficient than multi-starts with an optimization code.