the literature.
Ran.
Message: 3
Date: Wed, 16 Feb 2011 20:14:07 -0800
From: bharat gupta bharat.85.m...@gmail.com
Subject: [gmx-users] RE: simulation of a metal binding sites
To: Discussion list for GROMACS users gmx-users@gromacs.org
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.
Ran.
Message: 3
Date: Wed, 16 Feb 2011 20:14:07 -0800
From: bharat gupta bharat.85.m...@gmail.com
Subject: [gmx-users] RE: simulation of a metal binding sites
To: Discussion list for GROMACS users gmx-users@gromacs.org
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Subject: [gmx-users] RE: simulation of a metal binding sites
To: Discussion list for GROMACS users gmx-users@gromacs.org
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Hi,
As mentioned by others, there's really lots of literature out there. I
thought I mention a recent study we carried out, because it actually
helped discover some new ion binding sites based on MD. By re-examining
crystal structures based on these results, we could even find
experimental
Thanks for these two references ... I am trying to simulate a zinc ion
(Zn++) binding domains .. Actually the study involves grafting the Zinc ion
domain onto some other protein to check whether it binds to ions or not and
what will be the effect of ion binding onto the topology of the other
Hi,
I have incorporated some metal binding sites(zinc ion) in my protein. Now I
want to see whether that region binds to zinc ions or not and what is the
effect of ion binding to the topology of the protein .. Can this be done
using gromacs and how ??
Regards
--
Bharat
Ph.D. Candidate
Room No.
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