ADL: screening with small molecule present

Brian Moldover moldoverb at gmail.com
Tue Dec 10 06:24:09 PST 2013


I've done it with a cofactor still in place, but I am docking outside of
that region. What exactly are you trying to do?

-----Original Message-----
From: autodock-bounces at scripps.edu [mailto:autodock-bounces at scripps.edu] On
Behalf Of Michael Osborne
Sent: Tuesday, December 10, 2013 9:19 AM
To: autodock at scripps.edu
Subject: ADL: screening with small molecule present

Hi Everyone
I was wondering if it anyone has tried to use VINA or autodock to perform a
virtual screen against a protein and a small molecule already present (and
keeping that molecule there).
Thanks in advance
Mike

--
Mike Osborne
Iric-Institut de Recherche en Immunovirologie et Cancérologie Université de
Montréal
Ph: (514) 343 6111 ext. 0534(NMR)/ 06070(Office)/ 0610(Wet lab)
Fax: (514) 343 5839

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