Hi everyone,
I have a question about the role of ACE and NME capping in the protein
simulation. Recently, I have read papers for comparing the difference
between capping and uncapping protein after MD simulation. In their
results, uncapped protein simulation is more accuracy than capping protein.
I have atteched the paper below:
Cino, E. A., Choy, W.-Y., & Karttunen, M. (2012). Comparison of Secondary
Structure Formation Using 10 Different Force Fields in Microsecond
Molecular Dynamics Simulations. Journal of Chemical Theory and Computation,
8(8), 2725–2740.
http://doi.org/10.1021/ct300323g
Therefore, I am wondering the role of ACE and NME capping protein in the
protein simulation.
Anyone can give me some suggestions?
Thank you for taking your time.
Jacky
--
Lei Zhao, Ph.D.
International Joint Cancer Institute of the Second Military Medical
University
National Engineering Research Center for Antibody Medicine
New Library Building 11th floor,800 Xiang Yin Road
Shanghai 200433
P.R.China
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Received on Fri Sep 01 2017 - 04:00:02 PDT
