AMBER Archive (2007)

Subject: Re: AMBER: PMF for DG calculation.

From: David A. Case (case_at_scripps.edu)
Date: Mon May 14 2007 - 10:01:41 CDT


On Mon, May 14, 2007, David Mobley wrote:
> >
> >I am trying to comput the DG for a drug binding to a receptor with PMF
> >approach.

This paper might help (among others):

%A O. Guvench
%A D.J. Price
%A C.L. Brooks
%T Receptor Rigidity and Ligand Mobility in Trypsin-Ligand Complexes
%J Proteins
%V 58
%P 407-417
%D 2005

...dac

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