On generating Instances for the Molecular Distance Geometry Problem

Abstract

The molecular distance geometry problem can be stated as the deter-minationof the three-dimensional structure of a molecule using a set of distancesbetween pairs of atoms. It can be formulated as a global minimizationproblem, where the main difficulty is the exponential increasingof local minimizers with the size of the molecule. The aim of thisstudy is to generate new instances for the molecular distance geometryproblem that can be used in order to test algorithms designed tosolve it.