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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
2 LIX - Laboratoire d'informatique de l'École polytechnique [Palaiseau]
3 Department of Biology
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/.
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https://hal.inria.fr/inria-00548867
Contributor : Yann Ponty <>
Submitted on : Monday, December 20, 2010 - 4:50:26 PM
Last modification on : Wednesday, October 14, 2020 - 3:45:21 AM

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CNRS | INRIA | LIX | X-LIX | X | UMR8623 | X-DEP-INFO

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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⟩

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