Title :
Using a manipulator for force display in molecular docking
Author :
Ouh-young, M. ; Pique, M. ; Hughes, John ; Srinivasan, Neela ; Brooks, Frederick P., Jr.
Author_Institution :
Dept. of Comput. Sci., North Carolina, Univ., Chapel Hill, NC, USA
Abstract :
A real-time molecular docking system is developed that uses an electrically coupled remote manipulator as a force display. The system, which uses integrates interactive computer graphics and high-speed calculation of the interaction forces between a drug and a receptor site in a molecule, is designed to be a tool for molecular scientists. The manipulator is used to generate the forces and torques exerted on the drug molecule when it is aligned with the receptor site by the user´s hand. The manipulator serves both as an input device for 6-D manipulation and as an output device for generating forces. Preliminary testing indicates that the system might enhance the biochemist´s understanding and performance
Keywords :
biological techniques and instruments; biomechanics; molecular biophysics; real-time systems; robots; 6-D manipulation; drug; electrically coupled remote manipulator; force display; input device; interaction forces; interactive computer graphics; molecular scientists; output device; real-time molecular docking system; receptor site; Computer displays; Computer graphics; Computer science; Drugs; Electrostatics; Man machine systems; Proteins; Real time systems; Surface fitting; Three dimensional displays;
Conference_Titel :
Robotics and Automation, 1988. Proceedings., 1988 IEEE International Conference on
Conference_Location :
Philadelphia, PA
Print_ISBN :
0-8186-0852-8
DOI :
10.1109/ROBOT.1988.12330
