Atomic Charge Parameters for the Finite Difference Poisson−Boltzmann Method Using Electronegativity Neutralization

Qingyi Yang; Kim A. Sharp

doi:10.1021/ct060009c

Atomic Charge Parameters for the Finite Difference Poisson−Boltzmann Method Using Electronegativity Neutralization

Journal of Chemical Theory and Computation ◽

10.1021/ct060009c ◽

2006 ◽

Vol 2 (4) ◽

pp. 1152-1167 ◽

Cited By ~ 12

Author(s):

Qingyi Yang ◽

Kim A. Sharp

Keyword(s):

Finite Difference ◽

Atomic Charge ◽

Poisson Boltzmann ◽

Boltzmann Method

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Evaluation of the performances of different atomic charge and nonelectrostatic models in the finite‐difference Poisson–Boltzmann approach

International Journal of Quantum Chemistry ◽

10.1002/qua.26560 ◽

2020 ◽

Author(s):

Dario Vassetti ◽

Frédéric Labat

Keyword(s):

Finite Difference ◽

Atomic Charge ◽

Poisson Boltzmann

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Faculty Opinions recommendation of Implementation and testing of stable, fast implicit solvation in molecular dynamics using the smooth-permittivity finite difference Poisson-Boltzmann method.

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1022002.251635 ◽

2004 ◽

Author(s):

Jan Antosiewicz

Keyword(s):

Molecular Dynamics ◽

Finite Difference ◽

Implicit Solvation ◽

Poisson Boltzmann ◽

Boltzmann Method

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Roles of Boundary Conditions in DNA Simulations: Analysis of Ion Distributions with the Finite-Difference Poisson-Boltzmann Method

Biophysical Journal ◽

10.1016/j.bpj.2009.05.012 ◽

2009 ◽

Vol 97 (2) ◽

pp. 554-562 ◽

Cited By ~ 24

Author(s):

Xiang Ye ◽

Qin Cai ◽

Wei Yang ◽

Ray Luo

Keyword(s):

Finite Difference ◽

Boundary Conditions ◽

Ion Distributions ◽

Poisson Boltzmann ◽

Boltzmann Method

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An improved pairwise decomposable finite-difference Poisson–Boltzmann method for computational protein design

Journal of Computational Chemistry ◽

10.1002/jcc.20878 ◽

2008 ◽

Vol 29 (7) ◽

pp. 1153-1162 ◽

Cited By ~ 24

Author(s):

Christina L. Vizcarra ◽

Naigong Zhang ◽

Shannon A. Marshall ◽

Ned S. Wingreen ◽

Chen Zeng ◽

...

Keyword(s):

Finite Difference ◽

Protein Design ◽

Computational Protein Design ◽

Poisson Boltzmann ◽

Boltzmann Method

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Implementation and testing of stable, fast implicit solvation in molecular dynamics using the smooth-permittivity finite difference Poisson-Boltzmann method

Journal of Computational Chemistry ◽

10.1002/jcc.20138 ◽

2004 ◽

Vol 25 (16) ◽

pp. 2049-2064 ◽

Cited By ~ 59

Author(s):

Ninad V. Prabhu ◽

Peijuan Zhu ◽

Kim A. Sharp

Keyword(s):

Molecular Dynamics ◽

Finite Difference ◽

Implicit Solvation ◽

Poisson Boltzmann ◽

Boltzmann Method

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Investigating the dielectric effects of channel pore water on the electrostatic barriers of the permeation ion by the finite difference Poisson-Boltzmann method

European Biophysics Journal ◽

10.1007/s002490050116 ◽

1998 ◽

Vol 27 (2) ◽

pp. 105-112 ◽

Cited By ~ 13

Author(s):

W. Cheng ◽

C. X. Wang ◽

W. Z. Chen ◽

Ying Wu Xu ◽

Yun Yu Shi

Keyword(s):

Finite Difference ◽

Pore Water ◽

Channel Pore ◽

Poisson Boltzmann ◽

Boltzmann Method

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Incorporating solvent and ion screening into molecular dynamics using the finite-difference Poisson-Boltzmann method

Journal of Computational Chemistry ◽

10.1002/jcc.540120407 ◽

1991 ◽

Vol 12 (4) ◽

pp. 454-468 ◽

Cited By ~ 98

Author(s):

Kim Sharp

Keyword(s):

Molecular Dynamics ◽

Finite Difference ◽

Poisson Boltzmann ◽

Boltzmann Method

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Equivalent finite difference and partial differential equations for the lattice Boltzmann method

Computers & Mathematics with Applications ◽

10.1016/j.camwa.2021.03.014 ◽

2021 ◽

Vol 90 ◽

pp. 96-103

Author(s):

Radek Fučík ◽

Robert Straka

Keyword(s):

Partial Differential Equations ◽

Finite Difference ◽

Differential Equations ◽

Lattice Boltzmann Method ◽

Lattice Boltzmann ◽

Partial Differential ◽

Boltzmann Method

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Immersed boundary-finite difference lattice Boltzmann method using the feedback forcing scheme to simulate the incompressible flows

International Journal of Precision Engineering and Manufacturing ◽

10.1007/s12541-016-0127-4 ◽

2016 ◽

Vol 17 (8) ◽

pp. 1049-1057 ◽

Cited By ~ 1

Author(s):

Lae-Sung Kim ◽

Hui-Ju Yang ◽

Man-Yeoung Ha ◽

Zhe-Zhu Xu ◽

Hong Xiao ◽

...

Keyword(s):

Finite Difference ◽

Lattice Boltzmann Method ◽

Lattice Boltzmann ◽

Incompressible Flows ◽

Immersed Boundary ◽

Boltzmann Method

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A Hybrid Lattice Boltzmann Method-Finite Difference Method Model for Sediment Transport and Riverbed Deformation

River Research and Applications ◽

10.1002/rra.2735 ◽

2014 ◽

Vol 31 (4) ◽

pp. 447-456 ◽

Cited By ~ 3

Author(s):

H. Liu ◽

Y. Ding ◽

M. Li ◽

P. Lin ◽

M. H. Yu ◽

...

Keyword(s):

Sediment Transport ◽

Finite Difference ◽

Finite Difference Method ◽

Lattice Boltzmann Method ◽

Difference Method ◽

Lattice Boltzmann ◽

Boltzmann Method ◽

Method Model

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