[gmx-users] Ligand interaction

[rama david]

Dear md kashif,
 my protein energy is
-1.5....e+06 and now after docking with ligand it becomes -1.05....e+06.
what does it mean?

is it is the energy of ligand_protein complex or simply the protein???

In docking  generally the receptor is rigid, then why the receptor will
change its energy ?? the energy of receptor,free  drug  and receptor-drug
complex
will different.


With best regards


On Wed, Nov 12, 2014 at 9:57 AM, md kashif <kashifzamir180.mk at gmail.com>
wrote:

> Hello everyone
> please suggest me that is there any change in protein energy after docking
> the ligand to my energy minimized protein? my protein energy is
> -1.5....e+06 and now after docking with ligand it becomes -1.05....e+06.
> what does it mean?
>
>
> Thanks
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