Subject: Ligand Docking

From: Deepak Singh <[email-masked]>
Date: Tue, 06 Jul 1999 11:29:43 -0400

Hi folks,

I have a receptor all primed to dock a ligand.  Thi sis my first ligand
docking experience and I started looking in the literature for
methodology.  However, most of the literature I have found (mostly monte
carlo based packages) use AMBER parameters.  I havefound just one method
based on CHARMM22 paramaters.  Anyone has any insight into
methods/algorithms/packages that can take a CHARMM crd or pdb file and
use CHARMM rtf's and PARAM files to dock a ligand?

Thanks

Deepak.

--
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Deepak Singh                        Tel : (315)443 1739 (w)
Graduate Student                          (315)472 9659 (h)
Dept. of Chemistry                Fax : (315)443 4070
Syracuse University               email : [email-masked]
1-014 CST, Syracuse               URL : http://web.syr.edu/~desingh
NY 13244

"Violence is the last refuge of the incompetent." --- Salvor Hardin
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