Re: [AMBER] Steered dynamics related questions

From: Dmitry Nilov <nilovdm.gmail.com>
Date: Tue, 26 Jul 2011 19:03:28 +0400

> For example, as it mentioned here:
> http://enzyme.fbb.msu.ru/Tutorials/Tutorial_3/
> where "constant /k/=150 pN/A  allows 0.5 A thermal fluctuations of the
> constrained coordinate".

Hello, this remark just demonstrates that the distance restraint is
rather soft. But it can be sufficient to drive the
dissociation/assotiation of protein-ligand complex.

-- 
Dmitry Nilov
Faculty of Bioengineering and Bioinformatics,
Lomonosov Moscow State University
web: http://enzyme.fbb.msu.ru/
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Received on Tue Jul 26 2011 - 08:30:03 PDT
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