scholarly journals On the Number of Solutions of the Discretizable Molecular Distance Geometry Problem

2011 ◽  
pp. 322-342 ◽  
Author(s):  
Leo Liberti ◽  
Benoît Masson ◽  
Jon Lee ◽  
Carlile Lavor ◽  
Antonio Mucherino
Keyword(s):  
Distance Geometry ◽  
Number Of Solutions ◽  
Molecular Distance Geometry ◽  
Geometry Problem ◽  
Distance Geometry Problem

EXPLOITING SYMMETRY PROPERTIES OF THE DISCRETIZABLE MOLECULAR DISTANCE GEOMETRY PROBLEM

2012 ◽  
Vol 10 (03) ◽  
pp. 1242009 ◽  
Author(s):  
ANTONIO MUCHERINO ◽  
CARLILE LAVOR ◽  
LEO LIBERTI
Keyword(s):  
Binary Tree ◽  
Distance Geometry ◽  
Bp Algorithm ◽  
Computational Experiments ◽  
Number Of Solutions ◽  
Molecular Distance Geometry ◽  
Symmetry Properties ◽  
Geometry Problem ◽  
Distance Geometry Problem ◽  
Search Domain

The Discretizable Molecular Distance Geometry Problem (DMDGP) involves a subset of instances of the distance geometry problem for which some assumptions allowing for discretization are satisfied. The search domain for the DMDGP is a binary tree that can be efficiently explored by employing a Branch & Prune (BP) algorithm. We showed in recent works that this binary tree may contain several symmetries, which are directly related to the total number of solutions of DMDGP instances. In this paper, we study the possibility of exploiting these symmetries for speeding up the solution of DMDGPs, and propose an extension of the BP algorithm that we named symmetry-driven BP (symBP). Computational experiments on artificial and protein instances are presented.

scholarly journals The discretizable molecular distance geometry problem

2011 ◽  
Vol 52 (1) ◽  
pp. 115-146 ◽  
Author(s):  
Carlile Lavor ◽  
Leo Liberti ◽  
Nelson Maculan ◽  
Antonio Mucherino
Keyword(s):  
Distance Geometry ◽  
Molecular Distance Geometry ◽  
Geometry Problem ◽  
Distance Geometry Problem

Extending the geometric build-up algorithm for the molecular distance geometry problem

2008 ◽  
Vol 108 (4) ◽  
pp. 234-237 ◽  
Author(s):  
Ricardo dos Santos Carvalho ◽  
Carlile Lavor ◽  
Fábio Protti
Keyword(s):  
Distance Geometry ◽  
Molecular Distance Geometry ◽  
Geometry Problem ◽  
Distance Geometry Problem
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