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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.>
Ouhyoung et al. (Mon,) studied this question.