I agree with Avijeet, moreover AutoDock Vina is not only free software, but also parallelizable. It is a very good and friendly software.

Dear Anahita,

First time I heard about INVdock and I searched a lot to find a link for software but didn't. You can simply use AutoDock VINA which is much faster compared to AutoDock4, can be freely available and you can simply plugin it using PyMol. Working with AutoDock VINA is exactly same as that of AutoDock.

http://vina.scripps.edu/

here you can find details about the same.

Thank you.

INVdock is used for finding target protein. It is the reverse of autodock and vina. Please see the attachment.

Thank you.

INVdock is used for finding target protein. It is the reverse of autodock and vina. Please see the attachment.

Thank you.

INVdock is used for finding target protein. It is the reverse of autodock and vina. Please see the attachment.

As everybody said, i too prefer autodock... There are many commercial tools are there, but those are too costly. Autodock is the best free software to do protein-ligand binding.

PatchDock server to do protein-ligand docking

It sounds like target fishing to me. Inverse virtual screening (one ligand, multiple targets). If so, it does not change the common paradigm of the docking problem. Find the best engine for your specific case (test at least 2-3 programs). Put wise constraints and try to relax them.

To test the right engine, no need to go for commercial products. A lot can be found at www.click2drug.org

dear Anahita,

As a guide i can introduce you autodock4 and dock6 softwares.

also i've a Manuscript of these softwares Which may help.

For more information you can contact me via this email : [email protected]