DocumentCode :
1501983
Title :
Numerical Modeling of Biomolecular Electrostatic Properties by the Element-Free Galerkin Method
Author :
Manzin, Alessandra ; Ansalone, Domenico Patrizio ; Bottauscio, Oriano
Author_Institution :
Ist. Naz. di Ricerca Metrologica, Torino, Italy
Volume :
47
Issue :
5
fYear :
2011
fDate :
5/1/2011 12:00:00 AM
Firstpage :
1382
Lastpage :
1385
Abstract :
The element-free Galerkin method is applied to the study of the electrostatic behavior of a biomolecule inside a ionic solvent. To this aim, the attention is focused on the solution of the linearized Poisson-Boltzmann equation. The numerical results put in evidence the capability of the proposed approach to approximate the steep gradients of the electrostatic potential arising in the molecular region.
Keywords :
Boltzmann equation; Galerkin method; Poisson equation; bioelectric phenomena; electrostatics; gradient methods; molecular biophysics; biomolecular electrostatics; electrostatic potential; element-free Galerkin method; ionic solvent; linearized Poisson-Boltzmann equation; steep gradients; Electric potential; Electrostatics; Equations; Finite element methods; Mathematical model; Moment methods; Solvents; Bioelectric phenomena; biological system modeling; element-free Galerkin method (EFGM); meshless methods;
fLanguage :
English
Journal_Title :
Magnetics, IEEE Transactions on
Publisher :
ieee
ISSN :
0018-9464
Type :
jour
DOI :
10.1109/TMAG.2010.2081353
Filename :
5754725
Link To Document :
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