Question: How to perform docking with a library of molecules?
gravatar for Sabine
4.5 years ago by
Sabine60 wrote:

I have a library of molecules, nearly 5000 ligands and one receptor structure which was  generated by homology modelling. Also I have predicted the possible active site residues. Now, how can I perform the docking studies for these at a time. Which is the best software I can use for this study?

Thank you for the valuable suggestions!


ADD COMMENTlink modified 4.5 years ago • written 4.5 years ago by Sabine60

Thanks for suggestion. does it support this kind of analysis? i have peformed one ligand at a time..

ADD REPLYlink written 4.5 years ago by Sabine60
gravatar for guillaume.gautreau44
4.5 years ago by
guillaume.gautreau44140 wrote:

You can use Autodock Vina:

ADD COMMENTlink modified 6 months ago by RamRS27k • written 4.5 years ago by guillaume.gautreau44140
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