| 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.