The electric potential of a macromolecule in a solvent: A fundamental approach (Q1181936): Difference between revisions
From MaRDI portal
Added link to MaRDI item. |
Set profile property. |
||
| Property / MaRDI profile type | |||
| Property / MaRDI profile type: MaRDI publication profile / rank | |||
Normal rank | |||
Revision as of 23:34, 4 March 2024
scientific article
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | The electric potential of a macromolecule in a solvent: A fundamental approach |
scientific article |
Statements
The electric potential of a macromolecule in a solvent: A fundamental approach (English)
0 references
27 June 1992
0 references
In order to compute the electric potential for a macromolecule of arbitrary shape in a solvent with nonzero ionic strength, a numerical method is given. The potential is described by the Poisson equation in the internal region and by the linearized Poisson-Boltzmann equation in the external domain. These equations can be solved by the application of the boundary element method. An adaptation formulation is given for charges located close to the interface. Numerical results are included. Also a method for the triangulation of the macromolecules surface is presented.
0 references
electric potential
0 references
macromolecule
0 references
Poisson equation
0 references
Poisson-Boltzmann equation
0 references
boundary element method
0 references
Numerical results
0 references
