[AMBER] MD simulation of the whole protein or just its ligand-binding domain

From: Nikolay N. Kuzmich <nnkuzmich.gmail.com>
Date: Tue, 6 Jun 2017 12:02:51 +0300

Dear Amber users,

there is a somewhat strange question.
Is it possible to simulate domain of a protein molecule
(ligand-binding domain, for instance) -
I mean,does it make sense and how critically should one consider the
results?
How distant will they be from the real world, or to be exact, from the
results
if the whole protein had been simulated?

Kind regards,
Nick
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Received on Tue Jun 06 2017 - 02:30:03 PDT
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