Encoding Molecular Motions in Voxel Maps
Résumé
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.
Origine : Fichiers produits par l'(les) auteur(s)
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