AMBER Archive (2008)

Subject: AMBER: Molecular dynamics simulation of large-scale domainmovement in a protein

From: Fenghui Fan (
Date: Thu Feb 28 2008 - 08:38:23 CST

Dear All,

I have a 2 domain protein, and as I know the 2 domains
can significantly change their relative position.
Futhermore, under the influence of inhibitors, both
domain can change their conformations.

Will you please introduce your experience on the
molecular dynamics simulation of proteins with large
scale intramolecular movement?

I am looking forward to getting a reply from you.

Best regards.

Fenghui Fan

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