학술논문

Using a manipulator for force display in molecular docking
Document Type
Conference
Source
Proceedings. 1988 IEEE International Conference on Robotics and Automation Robotics and Automation, 1988. Proceedings., 1988 IEEE International Conference on. :1824-1829 vol.3 1988
Subject
Robotics and Control Systems
Computing and Processing
Signal Processing and Analysis
Drugs
Computer displays
Proteins
Surface fitting
Real time systems
Computer graphics
Electrostatics
Man machine systems
Three dimensional displays
Computer science
Language
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.ETX