A difficult problem to explain the SMD force difference

From: Shulin Zhuang (shulin.zhuang_at_gmail.com)
Date: Wed Feb 20 2008 - 22:36:15 CST

Dear Alll,

I am a rookie about steered molecular dynamics. Here I want to ask you a
question. Much appreciated to your kind help!

I have a problem hard to tackle. I have performed constant velocity SMD on a
protein and its mutant. For the protein and its mutant, the rank of SMD
force data is in agreement with AFM data. The averaged SMD force of the
mutant is 50pN higher than the protein However, I could not explain the
Force difference. For the protein and the mutant, they have equal number of
hydrogen bond between two beta sheet which is critical for unfolding.
Besides hydrogen bond analysis ,what other analysis should be further
carried out?

Great thanks for your kind help.

Best regards

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