Name
Abstract | ||
|---|---|---|
This paper presents a new method for a six degrees of freedom haptic feedback in molecular docking simulations in virtual reality. The proposed method allows real-time haptic interaction even in the case of classical molecular simulation which implies notoriously long computation time. These simulations are classically used by the pharmaceutical industry (Sanofi-Aventis) and are based on the energetic description of atoms to estimate the interaction between a ligand and a protein. The haptic control scheme uses wave variables for a stable and robust teleoperation, and a transcription of the calculated energy into forces and torques for the manipulation of a flexible ligand around the binding site of a flexible molecule. This method can then be used with any energetic force field using a minimization process, thus avoiding the fastidious optimization of molecular simulation programs. |
Year | DOI | Venue |
|---|---|---|
2007 | 10.1109/ROBOT.2007.363090 | PROCEEDINGS OF THE 2007 IEEE INTERNATIONAL CONFERENCE ON ROBOTICS AND AUTOMATION, VOLS 1-10 |
Keywords | Field | DocType |
haptic feedback,molecular docking,force field,proteins,binding site,computational modeling,feedback,degree of freedom,teleoperation,stability,real time,pharmaceuticals,telerobotics,virtual reality,robust control | Teleoperation,Torque,Control theory,Six degrees of freedom,Molecular Docking Simulation,Control engineering,Engineering,Robust control,Telerobotics,Haptic technology,Computation | Conference |
Volume | Issue | ISSN |
2007 | 1 | 1050-4729 |
Citations | PageRank | References |
4 | 0.51 | 6 |
Authors | ||
3 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| B. Daunay | 1 | 13 | 1.86 |
| Alain Micaelli | 2 | 98 | 14.12 |
| Stéphane Régnier | 3 | 45 | 11.56 |