- Author:
- Ming Ouh-Young,
- Director:
- Frederick P. Brooks
We have developed a real-time computer-graphics system that uses a master station of a remote manipulator system as a 6-D force and torque display. This manipulator system, a graphics engine (E & S PS300 graphics engine, or Fuchs' Pixel-Planes), stereoscopic display, and high-speed calculation of the interaction forces between a drug and its receptor site, constitute a tool for molecular docking. When the drug molecule is maneuvered by the user's hand, the manipulator serves both as an input device with six degrees of freedom and as an output device for displaying force and torque. My work studied the creation, analysis, and evaluation of the illusion of feel, supplemented with visual illusion.
My thesis is that adding force display to an interactive computer graphics system can significantly help in molecular docking problems in terms of task completion time.
To demonstrate my hypothesis, I conducted two experiments. The first experiment tied six randomly located springs to both ends of a 6" stick. The subjects (seven graduate students) tried to find the null-force position. The experimental results corroborated my hypothesis (p $<$ 0.01). Performance gains by about a factor of two were observed.
The second experiment simulated the interaction forces between the dihydrofolate reductase enzyme (600 atoms) and six drugs (40 to 60 atoms each). Twelve biochemists tried to dock the drugs into the enzyme including deforming the drugs by bond-twisting. The experimental results corroborated (p $<$ 0.05) my hypothesis in the 6-D rigid-body manipulation component of the task. There was, however, no significant difference in the case of the one-degree-of-freedom bond-rotations component. Overall task-completion time with force-feedback was improved, but the difference was not significant.
Limited case-by-case studies show that subjects using the current ARM system are not only docking faster but also getting more precise docking results than those using the Ellipsoid algorithm (one of the best algorithms to date), both in the number of well-formed hydrogen bonds and in displacements.
Cited By
Otaduy M, Igarashi T and LaViola J Interaction ACM SIGGRAPH 2009 Courses, (1-66)- Glencross M, Chalmers A, Lin M, Otaduy M and Gutierrez D Exploiting perception in high-fidelity virtual environments (Additional presentations from the 24th course are available on the citation page) ACM SIGGRAPH 2006 Courses, (1-es)
- Chastine J, Brooks J, Zhu Y, Owen G, Harrison R and Weber I AMMP-Vis Proceedings of the ACM symposium on Virtual reality software and technology, (8-15)
- Otaduy M and Lin M Introduction to haptic rendering ACM SIGGRAPH 2005 Courses, (3-es)
- Gregory A, Lin M, Gottschalk S and Taylor R A framework for fast and accurate collision detection for haptic interaction ACM SIGGRAPH 2005 Courses, (34-es)
- Ruspini D, Kolarov K and Khatib O The haptic display of complex graphical environments Proceedings of the 24th annual conference on Computer graphics and interactive techniques, (345-352)
- Ramstein C, Martial O, Dufresne A, Carignan M, Chassé P and Mabilleau P Touching and hearing GUI's Proceedings of the second annual ACM conference on Assistive technologies, (2-9)
- Mark W, Randolph S, Finch M, Van Verth J and Taylor R Adding force feedback to graphics systems Proceedings of the 23rd annual conference on Computer graphics and interactive techniques, (447-452)
- Finch M, Chi V, Taylor R, Falvo M, Washburn S and Superfine R Surface modification tools in a virtual environment interface to a scanning probe microscope Proceedings of the 1995 symposium on Interactive 3D graphics, (13-ff.)
- Taylor R, Robinett W, Chi V, Brooks F, Wright W, Williams R and Snyder E The nanomanipulator Proceedings of the 20th annual conference on Computer graphics and interactive techniques, (127-134)
- Brooks F, Ouh-Young M, Batter J and Jerome Kilpatrick P Project GROPEHaptic displays for scientific visualization Proceedings of the 17th annual conference on Computer graphics and interactive techniques, (177-185)
- Brooks F, Ouh-Young M, Batter J and Jerome Kilpatrick P (2019). Project GROPEHaptic displays for scientific visualization, ACM SIGGRAPH Computer Graphics, 24:4, (177-185), Online publication date: 1-Sep-1990.
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