Question: which are the best docking softwares available?
1
gravatar for Sabine
5.0 years ago by
Sabine60
India
Sabine60 wrote:

Dear All,

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

Thanks

docking small molecules • 3.1k views
ADD COMMENTlink modified 5.0 years ago by João Rodrigues2.5k • written 5.0 years ago by Sabine60
3
gravatar for João Rodrigues
5.0 years ago by
João Rodrigues2.5k
Stanford University, U
João Rodrigues2.5k wrote:

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.

ADD COMMENTlink written 5.0 years ago by João Rodrigues2.5k
2
gravatar for geek_y
5.0 years ago by
geek_y9.9k
Barcelona
geek_y9.9k wrote:

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

ADD COMMENTlink written 5.0 years ago by geek_y9.9k
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