Re: WATER digest 161 (fwd)

• To: Water Science Network <water@gibbs.oit.unc.edu>
• Subject: Re: WATER digest 161 (fwd)
• From: Water Science Network Administrator <wsn-adm@mmlds1.pha.unc.edu>
• Date: Sun, 26 Feb 1995 14:15:26 -0500 (EST)

Sender: banks@darwin.bu.edu (Jay Banks)
Subject: Re:  WSN: Solvation

To add to Pieter Stouten's list of references on solvation, may I be permitted 
to plug my own work?  It's a first pass at a "dynamic" continuum model: 
in the spirit of Honig, but the water density (and thus the dielectric 
constant) can vary in space and time.  The water is given a self-interaction 
that favors states of zero density (where the solute is) and bulk water 
density, with an energy cost per unit area for an interface.  Also an 
explicit short-range interaction with solute as well as its electrostatic 
(dielectric) effect.

Jay Banks, Richard C. Brower, and Jianpeng Ma
Effective water model for Monte Carlo Simulations of Proteins.
Biopolymers vol. 35 (1995), p. 331-341.

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