Encoding Molecular Motions in Voxel Maps

J Cortés, S Barbe, M Erard, T Siméon
2011 IEEE/ACM Transactions on Computational Biology & Bioinformatics  
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.
doi:10.1109/tcbb.2010.23 pmid:20421686 fatcat:qrzew5l4mjgepppg4ledife7jy