ADL: Virtual screening with VIna - attn Pooja

Dr Muralikrishna Kumar sdis_au at rediffmail.com
Thu Jul 4 20:29:07 PDT 2013


Hi Ms. Pooja
you may use AUDockerLE
http://sourceforge.net/projects/audocker/files/AUDOcker%20LE/
it is useful GUI for virtual screening of ligands against one or more ligands

Dr.M Murali Krishna Kumar

Assistant Professor,

Pharmaceutical Chemistry Research Labs,

College of Pharmaceutical Sciences,

Andhra University,

Visakhapatnam - 530003



http://sdisau.blogspot.com/

09441419246


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Today's Topics:



   1.  Need help in screening a library of ligand in Autodock Vina

      (Pooja Makkar)





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Message: 1

Date: Thu, 4 Jul 2013 00:01:43 -0700

From: Pooja Makkar <pooja.makkar at gmail.com>

Subject: ADL: Need help in screening a library of ligand in Autodock

   Vina

To: autodock at scripps.edu

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   <CANG6gQ+MvW0E8cbg9UoupHZYJXQvVNck1L=3+KdKiZmKO98c4w at mail.gmail.com>

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Hello,



I am a new user of Vina. I have a library of ligands in zip format in which

I have thousands of ligands in pdbqt format. How can I include this library

in configuration file for Autodock Vina. I am using windows platform for

operation.



Thanks,



Pooja Makkar, PhD





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