title: Encoding molecular motions in voxel maps.
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.
authors.affiliation: LAAS-CNRS, 7 avenue du Colonel Roche, F-31077 Toulouse, France. jcortes@laas.fr
authors.forename: Juan
authors.initials: J
authors.lastname: Cortés
authors.forename: Sophie
authors.initials: S
authors.lastname: Barbe
authors.forename: Monique
authors.initials: M
authors.lastname: Erard
authors.forename: Thierry
authors.initials: T
authors.lastname: Siméon
mesh_terms: D000465:Algorithms; D019295:Computational Biology / Q000379:methods*; D008958:Models, Molecular; D009038:Motion; D011487:Protein Conformation; D011506:Proteins / Q000737:chemistry*
chemical_list: D011506:Proteins