Hi all,
I ran a 500ns simulation to study the dimerization of a peptide and now
I'm looking into what type of information I can get out.
So far I've been looking into cpptraj's hbond, lie and surf commands.
Is there a possibility to extract somehow the most probable or stable
dimer structure and to find out which interactions are the most
important ones for the dimerization to occur?
Do you know any other interesting data I can extract from this?
This is completely new to me so I would really appreciate some advice!
Best,
Andy
--
M.Sc. Andreas Tosstorff
Lehrstuhl für Pharmazeutische Technologie und Biopharmazie
Department Pharmazie
LMU München
Butenandtstr. 5-13 ( Haus B)
81377 München
Germany
Tel.: +49 89 2180 77059
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Received on Wed Mar 29 2017 - 10:00:02 PDT
