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Geometric Build-Up Solutions for 3-D Weighted Graph Embeddings (the MDGP)
by
R. Tucker Davis
Western Kentucky University
Coauthors: Di Wu
The Molecular Distance Geometry Problem (MDGP) arises in molecular modeling and requires the computing of coordinates given some pair-wise distances. This is equivalent to the Graph Embedding Problem which requires the embedding of a weighted graph in k-dimensional Euclidean space. After a brief introduction to the MDGP we will review a set of Geometric Build-up solutions and a new algorithm that incorporates the best aspects of its predecessors.
Date received: May 1, 2009
Copyright © 2009 by the author(s). The author(s) of this document and the organizers of the conference have granted their consent to include this abstract in Atlas Conferences Inc. Document # cayq-60.