DockingShop: a tool for interactive protein docking

Author

Lu, Ting-Cheng ; Ding, Jinhui ; Crivelli, Silvia N.

Author_Institution

California Inst. of Technol., USA

fYear

2005

fDate

8-11 Aug. 2005

Firstpage

271

Lastpage

272

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;

fLanguage

English

Publisher

ieee

Conference_Titel

Computational Systems Bioinformatics Conference, 2005. Workshops and Poster Abstracts. IEEE

Print_ISBN

0-7695-2442-7

Type

conf

DOI

10.1109/CSBW.2005.54

Filename

1540627