LocalMove: computing on-lattice fits for biopolymers

Yann Ponty 1, 2 R. Istrate E. Porcelli Peter Clote 3
1 AMIB - Algorithms and Models for Integrative Biology
LIX - Laboratoire d'informatique de l'École polytechnique [Palaiseau], LRI - Laboratoire de Recherche en Informatique, UP11 - Université Paris-Sud - Paris 11, Inria Saclay - Ile de France, X - École polytechnique, CNRS - Centre National de la Recherche Scientifique : UMR8623
Abstract : Given an input Protein Data Bank file (PDB) for a protein or RNA molecule, LocalMove is a web server that determines an on-lattice representation for the input biomolecule. The web server implements a Markov Chain Monte-Carlo algorithm with simulated annealing to compute an approximate fit for either the coarse-grain model or backbone model on either the cubic or face-centered cubic lattice. LocalMove returns a PDB file as output, as well as dynamic movie of 3D images of intermediate conformations during the computation. The LocalMove server is publicly available at http://bioinformatics.bc.edu/clotelab/localmove/.
Type de document :
Article dans une revue
Nucleic Acids Research, Oxford University Press, 2008, 36 (2), pp.W216-W222. 〈10.1093/nar/gkn367〉
Liste complète des métadonnées

https://hal.inria.fr/inria-00548867
Contributeur : Yann Ponty <>
Soumis le : lundi 20 décembre 2010 - 16:50:26
Dernière modification le : mercredi 25 avril 2018 - 10:45:38

Lien texte intégral

Identifiants

Collections

Citation

Yann Ponty, R. Istrate, E. Porcelli, Peter Clote. LocalMove: computing on-lattice fits for biopolymers. Nucleic Acids Research, Oxford University Press, 2008, 36 (2), pp.W216-W222. 〈10.1093/nar/gkn367〉. 〈inria-00548867〉

Partager

Métriques

Consultations de la notice

132