Encoding Molecular Motions in Voxel Maps

Authors:
Juan Cortes;Sophie Barbe;Monique Erard;Thierry Simeon
Affiliations:
LAAS-CNRS, Toulouse, France;LISBP, Toulouse, France;IPBS-CNRS, Toulouse, France;LAAS-CNRS, Toulouse, France
Venue:
IEEE/ACM Transactions on Computational Biology and Bioinformatics (TCBB)
Year:
2011

Citing 7
Cited 0

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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.