Finite difference Poisson-Boltzmann electrostatic calculations: Increased accuracy achieved by harmonic dielectric smoothing and charge antialiasing
- 30 January 1997
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 18 (2) , 268-276
- https://doi.org/10.1002/(sici)1096-987x(19970130)18:2<268::aid-jcc11>3.0.co;2-e
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- The interpretation of protein structures: Estimation of static accessibilityPublished by Elsevier ,2004
- GEPOL: An improved description of molecular surfaces. III. A new algorithm for the computation of a solvent‐excluding surfaceJournal of Computational Chemistry, 1994
- Grid positioning independence and the reduction of self‐energy in the solution of the Poisson—Boltzmann equationJournal of Computational Chemistry, 1993
- Application of Systematic Conformational Search to Protein ModelingMolecular Simulation, 1993
- Dielectric boundary smoothing in finite difference solutions of the poisson equation: An approach to improve accuracy and convergenceJournal of Computational Chemistry, 1991
- A rapid finite difference algorithm, utilizing successive over‐relaxation to solve the Poisson–Boltzmann equationJournal of Computational Chemistry, 1991
- Solving the finite difference linearized Poisson‐Boltzmann equation: A comparison of relaxation and conjugate gradient methodsJournal of Computational Chemistry, 1989
- Treatment of electrostatic effects in macromolecular modelingProteins-Structure Function and Bioinformatics, 1989
- Calculating the electrostatic potential of molecules in solution: Method and error assessmentJournal of Computational Chemistry, 1988
- Calculation of the electric potential in the active site cleft due to α-helix dipolesJournal of Molecular Biology, 1982