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Solving the finite-difference non-linear Poisson–Boltzmann equation

✍ Scribed by Brock A. Luty; Malcolm E. Davis; J. Andrew McCammon

Publisher
John Wiley and Sons
Year
1992
Tongue
English
Weight
375 KB
Volume
13
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

The Poisson–Boltzmann equation can be used to calculate the electrostatic potential field of a molecule surrounded by a solvent containing mobile ions. The Poisson–Boltzmann equation is a non‐linear partial differential equation. Finite‐difference methods of solving this equation have been restricted to the linearized form of the equation or a finite number of non‐linear terms. Here we introduce a method based on a variational formulation of the electrostatic potential and standard multi‐dimensional maximization methods that can be used to solve the full non‐linear equation. © 1992 by John Wiley & Sons, Inc.

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