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How to perform docking with a library of molecules?
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20 months ago
Sabine • 60
India

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!

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4.8 years ago
France

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

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20 months ago
Sabine • 60
India

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

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