[Dock-fans] plz help-DOCK 6.1

ritu chaudhary ritu.bioinfo at gmail.com
Sat Mar 31 03:19:52 PST 2007


<arnold at cabm.rutgers.edu>
>
> I am working on project entitled *"Virtual Screening of Inhibitors against
> NS3 Protease of Dengue Virus"* using software *Dock 6.1*.Sir i have to
> perform Docking of 1bef.pdb to about 1000 compounds of NCL library.i read
> all the tutorials given at site
> http://dock.compbio.ucsf.edu/DOCK_6/index.htm
> and i used them for running dock 6 but those tutorials are for docking
> single ligand to the receptor.and i want to dock a database containing
> 10,000 compounds.so plzzzzzzzzzzzzzz tell me that tutorial which is for
> docking a library of compounds to single 3-D receptor mol.
> please help me.
> i have prepared receptor mol by running SPHGEN and it has generated 27
> clusters and now i have to generate spheres on the surface of receptor so
> which tutorial should i follow for that
> I will be really thankful.
>
> Ritu Chaudhary
> M.Sc BIOINFORMATICS
> CCSHAU
> HISAR
> INDIA
>
>
>
>
>
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