A Branch-and-Prune algorithm for the Molecular Distance Geometry Problem



This article is corrected by:

  1. Errata: A note on “A branch-and-prune algorithm for the molecular distance geometry problem” Volume 18, Issue 6, 751–752, Article first published online: 1 March 2011


The Molecular Distance Geometry Problem consists in finding the positions in inline image 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.