Using a manipulator for force display in molecular docking
- 6 January 2003
- conference paper
- Published by Institute of Electrical and Electronics Engineers (IEEE)
- p. 1824-1829 vol.3
- https://doi.org/10.1109/robot.1988.12330
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
This publication has 1 reference indexed in Scilit:
- Computer graphics in real‐time docking with energy calculation and minimizationJournal of Computational Chemistry, 1985