Using a manipulator for force display in molecular docking

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