ADL: autodock Digest, Vol 107, Issue 2

Dr Muralikrishna Kumar sdis_au at rediffmail.com
Thu Jul 4 20:28:07 PDT 2013


Hi poojaYou may use AUDocker LE
http://sourceforge.net/projects/audocker/files/AUDOcker%20LE/
it helps you in the virtual screening of multiple ligands against one or more proteins
best of luck

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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Sent: Fri, 05 Jul 2013 00:31:06 
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Subject: autodock Digest, Vol 107, Issue 2
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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

Message-ID:

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

Content-Type: text/plain; charset=ISO-8859-1



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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