How to perform docking with a library of molecules?

Question

[Sabine]

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!

[Sabine]

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

Answer 1

[guillaume.gautreau44]

You can use Autodock Vina: http://vina.scripps.edu/