AMBER: modelling substrate binding

From: Mattias Blomberg <>
Date: 16 Jul 2007 14:53:15 +0100

Dear Amber community,

I'm starting up a project investigating the binding of a tripeptide
substrate to an enzyme active site. I would very much appreciate if someone
could point me in the direction of which techniques to use exploring the
binding of a substrate, including some references to papers discussing
this issue.

I started doing some basic MD simulations but would like to know how to
explore larger parts of the structural space and how to "confirm" that you
have the right binding mode.



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Received on Wed Jul 18 2007 - 06:07:22 PDT
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