Dear Amber community members,
If we have protein structure data available on isotopically labelled
protein, can we make use of this information in AMBER and perform dynamics
with them.
I mean how to generate prmtop and inpcrd files with specific AA labelled
with 15N, 13C or 2H and try to analyze the isotopic effect for properties
we are interested to calculate for e.g. changes in the dyamics of a
particular helix or loop when it is labelled.
I hope the question makes sense.
Thank you.
--
With regards
Vaibhav A. Dixit
Ph.D. Scholar
Department of Medicinal Chemistry
Natl. Inst. Pharm. Edu. & Res. (NIPER)
Sector 67, Phase X, S.A.S. Nagar (Mohali)
Punjab -160 062 INDIA
Phone (Mobile): +919915214408
E-mail: vaibhavadixit.gmail.com
www.niper.nic.in
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Received on Mon Nov 21 2011 - 00:30:03 PST
