AMBER Archive (2003)

Subject: Re: AMBER: MD simulation: enzyme and its substrate!!

From: Pradipta Bandyopadhyay (pradipta_at_cgl.ucsf.edu)
Date: Wed Oct 29 2003 - 14:26:17 CST


 If there is covalent bond formation between the enzyme and the substrate
then you cannot use AMBER directly to describe that process. If you know
the structure of the complex between the enzyme and the substrate then you
can run AMBER to examine structural (or other) properties of the complex.

        Pradipta

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