On Mon, Feb 02, 2015, Jason Swails wrote:
>
> > I want to parameterization Zn2+ in the protein - ligand complex.
>
To add to what Jason said: there are lots of zinc-specific ideas here:
%A M.B. Peters
%A Y. Yang
%A B. Wang
%A L. Fusti-Molnar
%A M.N. Weaver
%A K.M. Merz
%T Structural Survey of Zinc-Containing Proteins and Development of the
Zinc AMBER Force Field (ZAFF)
%J J. Chem. Theor. Comput.
%V 6
%P 2935-2947
%D 2010
...dac
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Received on Mon Feb 02 2015 - 07:00:08 PST
