Question about Clark Still's Generalized Born Solvation Model
- From: BILL WELSH <C1790 -x- at -x- SLVAXA.UMSL.EDU>
- Subject: Question about Clark Still's Generalized Born Solvation
- Date: Wed, 06 Jul 1994 18:32:33 -0600 (CST)
Two questions about the GB solvation Model available in Macromodel:
1. The procedure uses the SA ("Surface Area") as a parameter in
the solvation free energy. What algorithm does Macromodel use to calculate
this SA term for a given molecule. Is this procedure published somewhere in
a detailed manner?
2. I seem to remember that Clark Still, et al., published an article
in JACS or in the J. Comput. Chem. which describes the Generalized Born method.
Can someone cite this (these) references for me?
Thanks for any feedback ....
Dept. of Chemistry
Univ. of Missouri-St. Louis