Docking is an important computational tool in the drug
discovery process and is used to specifically predict protein-ligand
interactions. The two basic features of docking software are docking
accuracy and scoring reliability.
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Name |
Operating System |
License & Description |
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|
Windows/GNU Linux/Mac OS X |
GNU General Public License
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. Over the years, it has been
modified and improved to add new functionalities,
and multiple engines have been developed. |
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|
Windows/GNU Linux/Mac OS X |
Apache license
|
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|
Windows/GNU Linux/Mac OS X |
GNU
General Public License
It is an accelerated version of AutoDock4 that is
hundreds of times faster than the original
single-CPU docking code. |
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|
Windows/GNU Linux/Mac OS X |
Academic
software license
Avogadro is an advanced molecule
editor and visualizer designed for cross-platform
use in computational chemistry, molecular modeling,
bioinformatics, materials science, and related
areas. It offers flexible high quality rendering and
a powerful plugin architecture |