You may check this link : lots of interesting resources http://crdd.osdd.net/qsar.php
On Wed, Apr 21, 2010 at 10:29 AM, Khader Shameer <[email protected]> wrote: > 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
