A Branch‐and‐Prune algorithm for the Molecular Distance Geometry Problem
Copyright policy )A Branch‐and‐Prune algorithm for the Molecular Distance Geometry Problem
AbstractThe 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.
- Federal University of Rio de Janeiro Brazil
- École Polytechnique France
- State University of Campinas Brazil
Applications of mathematical programming, Distance in graphs, Applications of graph theory, Molecular structure (graph-theoretic methods, methods of differential topology, etc.), Search theory, Software, source code, etc. for problems pertaining to biology
Applications of mathematical programming, Distance in graphs, Applications of graph theory, Molecular structure (graph-theoretic methods, methods of differential topology, etc.), Search theory, Software, source code, etc. for problems pertaining to biology
selected citations These citations are derived from selected sources.This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).106 popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.Top 10% influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).Top 1% impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.Top 10%
Citations provided by BIP!Popularity provided by BIP!