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
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.