Title :
DockingShop: a tool for interactive protein docking
Author :
Lu, Ting-Cheng ; Ding, Jinhui ; Crivelli, Silvia N.
Author_Institution :
California Inst. of Technol., USA
Abstract :
The molecular docking problem is to determine how molecules interact with other molecules and plays a key role in understanding how cells function. DockingShop is an integrated environment far interactively steering molecular docking by navigating a ligand or protein to the receptor´s estimated binding site. This tool provides a graphical interface for molecular modeling featuring real-time visual guides, interactive manipulation, navigation, optimization, and dynamic visualization enabling users to apply their biological knowledge to steer the docking process.
Keywords :
biology computing; data visualisation; graphical user interfaces; molecular biophysics; optimisation; proteins; DockingShop; dynamic visualization; graphical interface; interactive manipulation; interactive protein docking; molecular docking; molecular modeling; optimization; protein navigation; real-time visual guide; receptor binding site; Atomic layer deposition; Biological system modeling; Biology computing; Computational modeling; Hydrogen; Manipulator dynamics; Navigation; Proteins; Spine; Visualization;
Conference_Titel :
Computational Systems Bioinformatics Conference, 2005. Workshops and Poster Abstracts. IEEE
Print_ISBN :
0-7695-2442-7
DOI :
10.1109/CSBW.2005.54
