A Branch‐and‐Prune algorithm for the Molecular Distance Geometry Problem
Open Access
- 2 January 2008
- journal article
- Published by Wiley in International Transactions in Operational Research
- Vol. 15 (1) , 1-17
Abstract
The Molecular Distance Geometry Problem consists in finding the positions inof 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.Keywords
This publication has 10 references indexed in Scilit:
- On generating Instances for the Molecular Distance Geometry Problem2006
- Rigidity, computation, and randomization in network localization2005
- A linear-time algorithm for solving the molecular distance geometry problem with exact inter-atomic distancesJournal of Global Optimization, 2002
- Molecular Modeling and Simulation2002
- Distance Geometry Optimization for Protein StructuresJournal of Global Optimization, 1999
- Predicting peptide structures using NMR data and deterministic global optimizationJournal of Computational Chemistry, 1999
- Global Continuation for Distance Geometry ProblemsSIAM Journal on Optimization, 1997
- Molecular structure determination by convex global underestimation of local energy minima1995
- The Molecule Problem: Exploiting Structure in Global OptimizationSIAM Journal on Optimization, 1995
- Children's counting: The early formation of numerical symbolsNew Directions for Child and Adolescent Development, 1979