AMBER Archive (2005)Subject: Re: AMBER: Is MM-PBSA doable for transition metals ?
From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Oct 24 2005 - 12:10:44 CDT
> I have been currently working on binding energetics of
> copper ions in complex with a protein
This paper may be useful; note that copper parameters derived for
copper-water interactions may not apply for copper in protein,
owing to the different parameterization of tip/spc waters.
Ion-Induced Stabilization of the G-DNA Quadruplex: Free
Energy Perturbation Studies. W.S. Ross and C.C. Hardin
Journal of the American Chemical Society 116, 6070 (1994).
Bill
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