Force feedback : based molecular docking

• Main Author: Iskandarsyah.
• Other Authors: Olga Sourina
• Format: Final Year Project
• Language: English
• Published: 2009
• Subjects: DRNTU::Engineering::Electrical and electronic engineering::Molecular electronics
• Online Access: http://hdl.handle.net/10356/14745
• Institution: Nanyang Technological University

Most of biological activities occur through physicochemical interaction of two protein molecules. During this interaction, one smaller molecule (ligand) will try to bind onto the other bigger molecule (receptor) in the best possible site (binding site). That is the basis of molecular docking and it has so much application in drug design. If one can find a way to determine the mechanism of the molecular docking, enhancement can be made to ensure the docking to be more efficient. This, in turn might lead to a better drug design. Haptic simulation plays a very wonderful role to help with this study. The haptic device will enable user to simulate the docking process. One commonly seen simulation is that the user will be able to use the stylus in the haptic device to manipulate the movement of the ligand. And he will also be able to experience the force feedback through the interaction with the receptor. This force feedback will subsequently guide the user in order to find the best binding site. In this project, the derivative of Lennard – Jones potential model is used to simulate the force that is coming from the interaction of the two molecules.