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Encoding Molecular Motions in Voxel Maps
March/April 2011 (vol. 8 no. 2)
pp. 557-563
Juan Cortés, LAAS-CNRS, Toulouse, France
Sophie Barbe, LISBP, Toulouse, France
Monique Erard, IPBS-CNRS, Toulouse, France
Thierry Siméon, LAAS-CNRS, Toulouse, France
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.

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Index Terms:
Simulation, modeling, visualization, computer applications to biology, robotics.
Juan Cortés, Sophie Barbe, Monique Erard, Thierry Siméon, "Encoding Molecular Motions in Voxel Maps," IEEE/ACM Transactions on Computational Biology and Bioinformatics, vol. 8, no. 2, pp. 557-563, March-April 2011, doi:10.1109/TCBB.2010.23
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