AutoDock

Entered: Fri Jun 29 09:53:04 2001

Operating systems: HPUX; Irix; Linux; MacOS; OSF1; Solaris; Unix; MS Windows

Type: Binary; Source

Languages: C; C++; Python

Distribution: Free for academic use

Application fields: Biology; Chemistry; Databases; Graphics; Modelling; Structure; Structure determination; Virtual reality; Visualization

Bibliography:

Description: Suite of automated docking tools designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Of use for X-ray crystallography, structure-based drug design, lead optimization, virtual screening (HTS), combinatorial library design, protein-protein docking, chemical mechanism studies.

References: http://autodock.scripps.edu/