ADL: no inhibition constante (Ki)

EVRIM BESRAY UNAL EUNAL at ku.edu.tr
Mon Mar 3 11:34:08 PST 2008


Hi,

As far as I observed the Ki constant does not appear in the output file if the docking energy is positive.

The high energies such as 167000... seem to appear when your ligand size is larger than the grid size. If the ligand or a part of the ligand gets out of the grid, then very large energies can be observed.

Sincerely,
Besray Unal

-----Original Message-----
From: Miguel Quiliano Meza <qilime at yahoo.es>
To: autodock at scripps.edu
Date: Mon, 3 Mar 2008 19:00:19 +0100 (CET)
Subject: ADL: no inhibition constante (Ki)

Hi dockers.

I have been performing several dockings as a training. But in some cases inhibition constant term is not coming (in the out.dlg). Also I have read a same question in the list but no-one responds.

Also in some cases my binding energy  is  16700000 ..!!!!

so I would like to know  in which cases the Ki will come? and why not?

Thanks in advance.

Miguel



       
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