AMBER Archive (2007)

Subject: Re: AMBER: Rate of Dissociation

From: David Mobley (dmobley_at_gmail.com)
Date: Fri May 04 2007 - 12:41:51 CDT

So, you ARE after the rate?

That sounds like a hard problem. You should probably review the
literature on calculating protein folding rates, as what you're asking
is related to the question of how one would calculate a protein
folding rate from a simulation.

David

On 5/4/07, Catein Catherine <askamber23_at_hotmail.com> wrote:
> Dear All,
>
> Could you please kindly give me some hints if I could calculate the rate of
> dissociation of a drug from the receptor protein with AMBER package? If
> yes, what is the best way to do so?
>
> Best regards and many thanks!
>
> Cat
>
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