Progress in developing Poisson-Boltzmann equation solvers
Chuan Li; Lin Li; Marharyta Petukh; Emil Alexov
Molecular Based Mathematical Biology (2013)
- Volume: 1, page 42-62
- ISSN: 2299-3266
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topChuan Li, et al. "Progress in developing Poisson-Boltzmann equation solvers." Molecular Based Mathematical Biology 1 (2013): 42-62. <http://eudml.org/doc/267420>.
@article{ChuanLi2013,
abstract = {This review outlines the recent progress made in developing more accurate and efficient solutions to model electrostatics in systems comprised of bio-macromolecules and nanoobjects, the last one referring to objects that do not have biological function themselves but nowadays are frequently used in biophysical and medical approaches in conjunction with bio-macromolecules. The problem of modeling macromolecular electrostatics is reviewed from two different angles: as a mathematical task provided the specific definition of the system to be modeled and as a physical problem aiming to better capture the phenomena occurring in the real experiments. In addition, specific attention is paid to methods to extend the capabilities of the existing solvers to model large systems toward applications of calculations of the electrostatic potential and energies in molecular motors, mitochondria complex, photosynthetic machinery and systems involving large nanoobjects.},
author = {Chuan Li, Lin Li, Marharyta Petukh, Emil Alexov},
journal = {Molecular Based Mathematical Biology},
keywords = {Continuum electrostatics; Poisson-Boltzmann equation; numerical techniques; dielectric constant; molecular surface; continuum electrostatics},
language = {eng},
pages = {42-62},
title = {Progress in developing Poisson-Boltzmann equation solvers},
url = {http://eudml.org/doc/267420},
volume = {1},
year = {2013},
}
TY - JOUR
AU - Chuan Li
AU - Lin Li
AU - Marharyta Petukh
AU - Emil Alexov
TI - Progress in developing Poisson-Boltzmann equation solvers
JO - Molecular Based Mathematical Biology
PY - 2013
VL - 1
SP - 42
EP - 62
AB - This review outlines the recent progress made in developing more accurate and efficient solutions to model electrostatics in systems comprised of bio-macromolecules and nanoobjects, the last one referring to objects that do not have biological function themselves but nowadays are frequently used in biophysical and medical approaches in conjunction with bio-macromolecules. The problem of modeling macromolecular electrostatics is reviewed from two different angles: as a mathematical task provided the specific definition of the system to be modeled and as a physical problem aiming to better capture the phenomena occurring in the real experiments. In addition, specific attention is paid to methods to extend the capabilities of the existing solvers to model large systems toward applications of calculations of the electrostatic potential and energies in molecular motors, mitochondria complex, photosynthetic machinery and systems involving large nanoobjects.
LA - eng
KW - Continuum electrostatics; Poisson-Boltzmann equation; numerical techniques; dielectric constant; molecular surface; continuum electrostatics
UR - http://eudml.org/doc/267420
ER -
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