AMBER Archive (2007)

Subject: AMBER: modelling substrate binding

From: Mattias Blomberg (mb635_at_cam.ac.uk)
Date: Mon Jul 16 2007 - 08:53:15 CDT

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.

Cheers,

Mattias

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu