free tool for molecular docking

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amitkatiyar's picture
free tool for molecular docking

AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

AutoDock actually consists of two main programs: AutoDock performs the docking of the ligand to a set of grids describing the target protein; AutoGrid pre-calculates these grids.

In addition to using them for docking, the atomic affinity grids can be visualised. This can help, for example, to guide organic synthetic chemists design better binders.


genius_nitin's picture
How it works ??

How it works ??

mishlabio's picture
For further details, refer to

For further details, refer to:
Using AutoDock for Ligand-Receptor Docking
Current Protocols in Bioinformatics
Garrett M. Morris, Ruth Huey, Arthur J. Olson

shanthi's picture
hiii,, please send the full

hiii,, please send the full materials on tools for molecular docking...