AMBER Archive (2009)

Subject: Re: [AMBER] Kinetics

From: case (
Date: Fri Sep 04 2009 - 14:29:24 CDT

On Fri, Sep 04, 2009, Soumya Lipsa Rath wrote:
> Is it possible to roughly estimate the kinetic activity of an enzyme in
> silico. Is there some technique?

This is too general a question for this type of mailing list. It depends
on *which* enzyme you are considering. But in general, these are advanced
sorts of simulation questions, to be tackled by those with a fair amount of
simulation experience.


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