Protein-ligand docking is a fundamental biochemical process within the human body, involving large molecules interacting with smaller molecules in docking events. The mechanisms regulating these processes involve complex force interactions and the events are abstract and difficult to understand. Traditional representations like illustrations in books often do not suffice when trying to understand this subject. A new application for investigating the docking procedure has been developed by us, using real-time evaluation of the forces between the substrate and the protein. The application, known as Chemical Force Feedback (CFF), is multi-sensory, combining a visual and haptic (tactile/kinaesthetic) display. This allows a user of the system to manipulate the substrate and feel its interactions with the protein as the substrate is fitted into the docking site. The system also includes a simple energy minimization model to show the dynamic properties of the ligand's torsional bonds, a rare feature in real-time haptic systems.
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Contact:
Petter Bivall Persson pbp@itn.liu.se
Institutionen för teknik och naturvetenskap
Department of Science and Technology
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