Molecular modelling

Sophisticated molecular modelling software is used by the ACGT through an annual licence agreement to the Accelrys Insight II software suite. Insight II is a 3D graphical environment for molecular modelling that includes 3D protein modelling and docking, drug discovery and lead optimisation.

The powerful user interface of Insight II enables the seamless flow of data between a wide range of scientific applications. The software environment integrates builder modules, development tools, force fields, simulation and visualization tools with tools specifically developed for applications in the life and materials sciences.

Insight II runs on IBM AIX, Linux, and Silicon Graphics workstations and servers. The full suite of software includes the following modules:

    • Affinity
    • Biopolymer
    • C2 Conformers
    • C2 DB Access
    • C2 Discover
    • C2 Force Field Editor
    • C2 LigandFit
    • C2 Minimizer
    • C2 Open Force Field
    • C2 Receptor
    • C2 SBF
    • C2 Visualizer LS
    • Catalyst/Compare
    • Catalyst/DB Server
    • Catalyst/HypoGen Package
    • Catalyst/Shape
    • Catalyst/Visualizer
    • CFF
    • Decipher
    • Delphi
    • Discover LS
    • Insight II LS
    • Ludi
    • Modeler
    • Profiles-3D

 

Contact information

Dr Colin Kenyon, Tel: +27 11 605 2702, Fax: +27 11 608 3020