[AMBER] pH-dependent folding simulation

From: George Tzotzos <gtzotzos.me.com>
Date: Wed, 01 Jun 2011 18:32:50 +0200

I'm dealing with a protein whose 12-residue carboxy end is an unstructured random coil at pH 7. This terminal end undergoes a transition to helical form at pH 4.5

I was thinking of following an approach similar to tutorial 3 to predict the folding of the terminal oligopeptide, however I don't have any clear ideas on how to factor in pH effects.

I'd appreciate any ideas on this.



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Received on Wed Jun 01 2011 - 10:00:04 PDT
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