, difference in simply looking at domain changes in proteins or affinites, etc...
Gesendet:Montag, 12. August 2013 um 14:19 Uhr
Von:Maria Astn Serrano m.aston.serr...@gmail.com
An:gmx-users@gromacs.org
Betreff:[gmx-users] Force Field for peptides and proteins
Dear Gromacs users,
We would like
Dear Gromacs users,
We would like to know which is the Force Field which is customarily
preferred for simulations of peptides and proteins.
Thank you very much.
Best regards,
Maria
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* Please
It depends on what properties of peptides and proteins that you want to
explore.
~Thu
On Mon, Aug 12, 2013 at 7:19 PM, Maria Astón Serrano
m.aston.serr...@gmail.com wrote:
Dear Gromacs users,
We would like to know which is the Force Field which is customarily
preferred for simulations of
I like CHARMM.
Dr. Vitaly V. Chaban
On Mon, Aug 12, 2013 at 2:19 PM, Maria Astón Serrano
m.aston.serr...@gmail.com wrote:
Dear Gromacs users,
We would like to know which is the Force Field which is customarily
preferred for simulations of peptides and proteins.
Thank you very much.
On 8/12/13 8:19 AM, Maria Astón Serrano wrote:
Dear Gromacs users,
We would like to know which is the Force Field which is customarily
preferred for simulations of peptides and proteins.
Interestingly, this same question was just asked on the development list,
although the discussion
On this note, I wanted to ask about simulated unfolding of proteins. I have
a primarily alpha-helical-protein ( about 300 amino acids, 5 alpha helices,
no beta strands) and 3 of its single point mutants. Now, to answer the
question of relative stability, I want to place them in a water bath and
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