Hi yeo,
I have one query related to the MD you are trying.
What I understood here is you are trying different conformation of your
protein molecule for docking it with ligand (please, correct me if I am
wrong)
I am also trying the same, But not finding any criteria to pick up the
conformation of
Subject: Re: [gmx-users] setting constraints to incomplete protein structures
CC:
Hi yeo,
I have one query related to the MD you are trying.
What I understood here is you are trying different conformation of your
protein molecule for docking it with ligand (please, correct me if I am wrong)
I am
? The solutions will
have to be found in the future once I get my MD running.
regards,
wk yeo
Date: Tue, 7 Oct 2008 11:36:57 +0530
From: [EMAIL PROTECTED]
To: [EMAIL PROTECTED]; gmx-users@gromacs.org
Subject: Re: [gmx-users] setting constraints
Hello,
My responses are as follows:
My questions:
1) Is it a good idea to use such catalytic domain structures for MD
simulation? Or should I only use complete protein structures for MD?
That depends entirely upon what you are interested in simulating.
I am interested in predicting the
wk yeo wrote:
Hello,
My responses are as follows:
My questions:
1) Is it a good idea to use such catalytic domain structures for MD simulation?
Or should I only use complete protein structures for MD?
That depends entirely upon what you are interested in simulating.
I am interested in
Hello, all,
It is quite common to encounter protein structures in PDB which consist of only
the catalytic domain (versus the structure of the entire protein). One such
example is: http://www.pdb.org/pdb/explore.do?structureId=1H1W
My questions:
1) Is it a good idea to use such catalytic
wk yeo wrote:
Hello, all,
It is quite common to encounter protein structures in PDB which consist of only the catalytic domain (versus the structure of the entire protein). One such example is: http://www.pdb.org/pdb/explore.do?structureId=1H1W
My questions:
1) Is it a good idea to use
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