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Encoding Molecular Motions in Voxel Maps

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.
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https://hal.laas.fr/hal-02652128
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Submitted on : Friday, January 18, 2019 - 12:06:24 PM
Last modification on : Tuesday, April 5, 2022 - 3:44:09 AM

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Juan Cortés, Sophie Barbe, Monique Erard, Thierry Simeon. Encoding Molecular Motions in Voxel Maps. IEEE/ACM Transactions on Computational Biology and Bioinformatics, Institute of Electrical and Electronics Engineers, 2011, 8 (2), pp.557-563. ⟨10.1109/TCBB.2010.23⟩. ⟨hal-02652128v2⟩

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