Literature DB >> 25400153

Finite-difference solution of the Poisson-Boltzmann equation: Complete elimination of self-energy.

Z Zhou1, P Payne, M Vasquez, N Kuhn, M Levitt.   

Abstract

A new procedure to solve the Poisson-Boltzmann equation is proposed and shown to be efficient. The electrostatic potential due to the reaction field is calculated directly. Self-interactions among the charges are completely eliminated. Therefore, the reference calculation to cancel out the self-energy is not needed. © 1996 by John Wiley & Sons, Inc.
Copyright © 1996 John Wiley & Sons, Inc.

Year:  1996        PMID： 25400153     DOI： 10.1002/(SICI)1096-987X(199608)17:11<1344::AID-JCC7>3.0.CO;2-M

Source DB:  PubMed          Journal:  J Comput Chem        ISSN： 0192-8651            Impact factor:   3.376


  18 in total

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2.  Electroelastic coupling between membrane surface fluctuations and membrane-embedded charges: continuum multidielectric treatment.

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3.  Using Correlated Monte Carlo Sampling for Efficiently Solving the Linearized Poisson-Boltzmann Equation Over a Broad Range of Salt Concentration.

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5.  Poisson-Boltzmann-Nernst-Planck model.

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Journal:  J Chem Phys       Date:  2011-05-21       Impact factor: 3.488

6.  ADAPTIVE FINITE ELEMENT MODELING TECHNIQUES FOR THE POISSON-BOLTZMANN EQUATION.

Authors:  Michael Holst; James Andrew McCammon; Zeyun Yu; Youngcheng Zhou; Yunrong Zhu
Journal:  Commun Comput Phys       Date:  2012       Impact factor: 3.246

7.  A Fast and Robust Poisson-Boltzmann Solver Based on Adaptive Cartesian Grids.

Authors:  Alexander H Boschitsch; Marcia O Fenley
Journal:  J Chem Theory Comput       Date:  2011-05-10       Impact factor: 6.006

8.  Exploring accurate Poisson-Boltzmann methods for biomolecular simulations.

Authors:  Changhao Wang; Jun Wang; Qin Cai; Zhilin Li; Hong-Kai Zhao; Ray Luo
Journal:  Comput Theor Chem       Date:  2013-11-15       Impact factor: 1.926

9.  A Stabilized Finite Element Method for Modified Poisson-Nernst-Planck Equations to Determine Ion Flow Through a Nanopore.

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Journal:  Commun Comput Phys       Date:  2014-01       Impact factor: 3.246

10.  PHEMTO: protein pH-dependent electric moment tools.

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Journal:  Nucleic Acids Res       Date:  2009-05-06       Impact factor: 16.971
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