Hi Erik,
My advice is to use explicit waters and than to find out an appropriate method, as such for example MM-PBSA, to evaluate the binding energies.
Regards,
Filip
> (c) Is the problem in using Generalized Born -- should I
> use explicit solvent?
>
> Thanks
>
>
>
>
> Erik R.P. Zuiderweg
> Professor of Biological Chemistry
> University of Michigan Medical School
> 4220D MSRB III,
> 1150 W. Medical Center Drive
> Ann Arbor MI 48109-0600
> Office Phone (734) 615 6365
> Cell Phone (734) 276 4463
> Lab Phone (734) 615 6378
> zuiderwe.umich.edu
> www-personal.umich.edu/~zuiderwe
>
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Received on Fri Mar 11 2011 - 21:30:02 PST
