which are the best docking softwares available?
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6.6 years ago
Sabine ▴ 70

Dear All,

I would like to know about few docking softwares, freely available ones.

Thanks

docking small molecules • 4.0k views
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6.6 years ago
João Rodrigues ★ 2.5k

Honestly, depends on which docking you are talking about. The mechanics of the software (i.e. the algorithms, scoring functions) depend on its purpose. If you want to do protein-protein docking, Autodock might not be the best option. For protein-ligand docking, it might. You also have protein-nucleic acid, protein-glycan, multiple proteins, etc. 

Autodock is a good option for protein-ligand docking. If you want an overview for protein-protein/DNA/etc docking, have a look at these reviews: 1, 2. Nearly all that software is free for academic use.

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6.6 years ago

Autodock is one of the popular softwares available in open-source for docking. Popular commercial ones includes Tripos SYBYL, Discovery studio and schrodinger.

You can find the list of software in wikipage

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