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