Article ID: | iaor20084585 |
Country: | United Kingdom |
Volume: | 15 |
Issue: | 1 |
Start Page Number: | 1 |
End Page Number: | 17 |
Publication Date: | Jan 2008 |
Journal: | International Transactions in Operational Research |
Authors: | Maculan Nelson, Liberti Leo, Lavor Carlile |
Keywords: | programming: branch and bound |
The Molecular Distance Geometry Problem consists in finding the positions in R3 of the atoms of a molecule, given some of the inter-atomic distances. We show that under an additional requirement on the given distances this can be transformed to a combinatorial problem. We propose a Branch-and-Prune algorithm for the solution of this problem and report on very promising computational results.