Title :
Encoding Molecular Motions in Voxel Maps
Author :
Cortés, Juan ; Barbe, Sophie ; Erard, Monique ; Siméon, Thierry
Author_Institution :
LAAS, CNRS, Toulouse, France
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.
Keywords :
biology computing; macromolecules; molecular biophysics; molecular configurations; motion estimation; path planning; proteins; molecular conformations; molecular motion encoding; protein loop; robotic path planning algorithm; voxel maps; Application software; Biological system modeling; Biology computing; Computational biology; Computational modeling; Encoding; Path planning; Proteins; Robots; Visualization; Simulation; computer applications to biology; modeling; robotics.; visualization; Algorithms; Computational Biology; Models, Molecular; Motion; Protein Conformation; Proteins;
Journal_Title :
Computational Biology and Bioinformatics, IEEE/ACM Transactions on
DOI :
10.1109/TCBB.2010.23
