[BiO BB] about virtual screening

[Khader Shameer]

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 <skhadar at gmail.com> 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 <dan.bolser at gmail.com> 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
>> <coolswati.srivastava1 at gmail.com> 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
>> > BBB at bioinformatics.org
>> > http://www.bioinformatics.org/mailman/listinfo/bbb
>> >
>>
>> _______________________________________________
>> BBB mailing list
>> BBB at bioinformatics.org
>> http://www.bioinformatics.org/mailman/listinfo/bbb
>>
>
>