Solving the Discretizable Molecular Distance Geometry Problem by Multiple Realization Trees

Abstract

The discretizable molecular distance geometry problem (DMDGP) is a subclass of the MDGP, where instances can be solved using a discrete algorithm called branch-and-prune (BP). We present an initial study showing that the BP algorithm can be used differently from its original form, where the initial atoms are fixed and the branches of the BP tree are generated until the last atom is reached. Particularly, we show that the use of multiple BP trees may explore the search space faster than the original BP.