ADL: ligand database

Steven Herron sherron at byu.edu
Thu Apr 16 11:36:27 PDT 2009


You can find a large number of molecules for docking at 
(http://zinc.docking.org/) 

Steven Herron
Brigham Young University
sherron at chem.byu.edu



Wenjing.Shi at lvh.com wrote:

>Hello,
>
>I'm a new user of Autodock. I need to find small molecules (from database of
>NCI) which can bind to the target MHC-peptid complexes. I downloaded this
>database with SDF formate, but had trouble in preapring them into ligand file.
>So my questions are:
>1) Can I prepare batch of ligands and further do docking?
>2) If first question is possible, then how can I change SDF formate to PDB?
>
>Thank you for your input!
>
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