How to perform docking with a library of molecules?
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!
1 answer
You can use Autodock Vina: http://vina.scripps.edu/
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Ram
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guillaume.gautreau44
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guillaume.gautreau44
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Thanks for suggestion. does it support this kind of analysis? i have peformed one ligand at a time..