Subject: Delphi reference

From: [email-masked] (Jeffrey L. Nauss)
Date: Thu, 21 Nov 1996 13:51:57 -0500

Quite sometime ago, I posted the following question:

>From nauss Tue Oct  8 10:22:30 1996

> I am looking for the recommended reference for the program Delphi out
> of Barry Honig's group.  I have found five possibilities from the
> Biosym/MSI manual for Delphi but which one is the *recommended* or
> preferred reference?

Here is the definitive reply from Kim Sharpe, one of the authors:

First 'delphi' paper

1 ).       Gilson, M., Sharp, K. A., Honig, B.  (1988). "Calculating
the Electrostatic Potential of Molecules in Solution: Method and Error
Assessment". J. Comp. Chem. 9:327-335.

Non-linear PB ref

2 ).       Jayaram, B., Sharp, K. A., Honig, B. (1989).  "The
Electrostatic Potential of B-DNA". Biopolymers 28:975-93.

Solvation energies

3 ).       Sitkoff, D., Sharp, K., Honig, B. (1994).  "Accurate
calculation of hydration free energies using macroscopic solvent
models". J. Phys. Chem. 98:1978-1988.

Improved 'delphi (biosym's version) reference

1 ).       Nicholls, A., Honig, B. (1991).  "A rapid finite difference
algorithm utilizing successive over-relaxation to solve the
Poisson-Boltzmann equation". J. Comp.  Chem. 12:435-445.

Thanks, Kim, and to all else who responded.  My apologies for not
getting a summary out sooner.

-- 
						Jeff Nauss

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