ICRA'09 Paper Abstract

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Paper FrC7.4

Cortes, Juan (LAAS-CNRS), Barbe, Sophie (INSA), Erard, Monique (CNRS), Simeon, Thierry (LAAS-CNRS)

Encoding Molecular Motions in Voxel Maps

Scheduled for presentation during the Regular Sessions "Motion Robotics" (FrC7), Friday, May 15, 2009, 14:30−14:50, Room: 405

2009 IEEE International Conference on Robotics and Automation, May 12 - 17, 2009, Kobe, Japan

This information is tentative and subject to change. Compiled on January 21, 2022

Keywords Applications to Molecular Biology, Motion and Path Planning, Life Sciences: Biotechnology, Pharmaceutical and Health Care

Abstract

Understanding life at the atomic level requires the development of new methodologies, able to overcome the limitations of available experimental and computational techniques for the analysis of processes involving molecular motions. With this goal in mind, we develop new methods, combining robotic path planning algorithms and molecular modeling techniques, for computing large-amplitude motions. This paper builds on these new methods, and introduces voxel maps as a computational tool to encode and to represent such motions. Voxel maps can be used to represent relative motions of two molecules, as well as conformational changes in macromolecules. We investigate several applications and show results that illustrate the interest of such representation. In particular, voxel maps are used to display channels into proteins, to analyze protein-ligand specificity, and to represents protein loop and domain motions.

 

 

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