Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/17039
Title: Haptic molecular docking
Authors: Liu, Wang.
Keywords: DRNTU::Engineering::Computer science and engineering::Computer applications::Life and medical sciences
Issue Date: 2009
Abstract: Molecular docking is a method which predicts the preferred orientation of one molecule to a second when bound to each other to form a stable complex. [1] Molecular docking is frequently used to predict the binding orientation of small molecule drug candidates to their protein targets in order to in turn predict the affinity and activity of the small molecule. Therefore, molecular docking plays an important role in the rational design of drugs. [2] Virtual Reality Modeling Language (VRML) is a standard file format for representing 3-dimensional interactive vector graphics, designed particularly with the World Wide Web in mind. By using VRML along with haptic device, user can have reliable experiences of both visualization and sense of touch at the same time during the docking process; also the force feedback feature can guide users to explore the potentially best binding site of the two molecules. This Final Year Project is a necessary requirement for degree of Bachelor of Engineering in Computer Science of Nanyang Technological University, and supposed to develop a useful tool to predict and design new drugs. In this project, HTML and JavaScript are used to implement user interface; VRML is used to visualize molecules; and C++ is used to implement the interface between haptic hardware device and the software system.
URI: http://hdl.handle.net/10356/17039
Rights: Nanyang Technological University
Fulltext Permission: restricted
Fulltext Availability: With Fulltext
Appears in Collections:SCSE Student Reports (FYP/IA/PA/PI)

Files in This Item:
File Description SizeFormat 
Liu Wang 09.pdf
  Restricted Access
1.95 MBAdobe PDFView/Open

Page view(s) 50

328
Updated on Nov 25, 2021

Download(s)

6
Updated on Nov 25, 2021

Google ScholarTM

Check

Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.