Encoding molecular motions in voxel maps

Juan Cortés; Sophie Barbe; Monique Erard; Thierry Siméon

doi:10.1109/TCBB.2010.23

Encoding molecular motions in voxel maps

IEEE/ACM Trans Comput Biol Bioinform. 2011 Mar-Apr;8(2):557-63. doi: 10.1109/TCBB.2010.23.

Authors

Juan Cortés¹, Sophie Barbe, Monique Erard, Thierry Siméon

Affiliation

¹ LAAS-CNRS, 7 avenue du Colonel Roche, F-31077 Toulouse, France. jcortes@laas.fr

PMID: 20421686
DOI: 10.1109/TCBB.2010.23

Abstract

This paper builds on the combination of robotic path planning algorithms and molecular modeling methods for computing large-amplitude molecular motions, and introduces voxel maps as a computational tool to encode and to represent such motions. We investigate several applications and show results that illustrate the interest of such representation.

Publication types

Research Support, Non-U.S. Gov't

MeSH terms

Algorithms
Computational Biology / methods*
Models, Molecular
Motion
Protein Conformation
Proteins / chemistry*

Substances

Proteins