Re: [AMBER] Simulation of the mechanical stress

From: David A Case <david.case.rutgers.edu>
Date: Thu, 20 Jul 2017 07:52:29 -0400

On Thu, Jul 20, 2017, James Starlight wrote:
>
> I am using a molecular dynamics simulation for the investigation of
> the activation of Mechanic-sensing ionic channel. My question: is it
> possible to introduce a mechanical stress acting on the membrane or
> selectively on some part of the protein, assuming that its
> mechanic-sensing domains are known from the X-ray structure? Which
> Amber tutorial may be useful for that case?

I don't know of any Amber tutorial or capability in this area. Do a
literature search to see how others have tried to model mechanic-sensing
channels.

...dac


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Received on Thu Jul 20 2017 - 05:00:04 PDT
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