Hi Swati, If you are planning to screen a protein target for ligands with various features. You can use ChEMBL as suggested by Dan or PubChem or ZINC databases.
To begin with you should have a target, some hypothesis around this protein to justify the virtual screening. Then you can download one of the small molecule libraries and perform your screen. You may try AutoDock Vina (I heard its capable of virtual screening and it is freely available) or commercial packages for insilico screening. http://vina.scripps.edu/ Trust this helps, Khader Shameer On Wed, Apr 21, 2010 at 3:02 AM, Dan Bolser <[email protected]> wrote: > I'm not sure, but I know there is a lot of information at ChEMBL > > http://www.ebi.ac.uk/chembl/ > > > HTH, > Dan. > > On 19 April 2010 18:23, swati srivastava > <[email protected]> wrote: > > In my desertation i have to do virtual screening. > > can someone tell me about the best tool fr this and steps? > > I will be very thankful > > > > Swati Srivastava > > > > _______________________________________________ > > BBB mailing list > > [email protected] > > http://www.bioinformatics.org/mailman/listinfo/bbb > > > > _______________________________________________ > BBB mailing list > [email protected] > http://www.bioinformatics.org/mailman/listinfo/bbb > _______________________________________________ BBB mailing list [email protected] http://www.bioinformatics.org/mailman/listinfo/bbb
