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

被引：0

作者：

Prabhu, NV ^{[1
]}

Zhu, PJ ^{[1
]}

Sharp, KA ^{[1
]}

机构：

[1] Univ Penn, Philadelphia, PA 19104 USA

来源：

BIOPHYSICAL JOURNAL | 2004年 / 86卷 / 01期

关键词：

D O I：

暂无

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

引用

页码：413A / 413A

页数：1

共 12 条

[1] Implementation and testing of stable, fast implicit solvation in molecular dynamics using the smooth-permittivity finite difference Poisson-Boltzmann method
Prabhu, NV
Zhu, PJ
Sharp, KA
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2004, 25 (16) : 2049 - 2064
[2] Harmonic averaging of smooth permittivity functions in finite-difference Poisson-Boltzmann Electrostatics
Kottmann, Stephen T.
THEORETICAL CHEMISTRY ACCOUNTS, 2008, 119 (5-6) : 421 - 427
[3] On achieving efficient molecular dynamics simulations with the finite difference Poisson-Boltzmann method.
Luo, R
Gilson, MK
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2000, 219 : U597 - U597
[4] CALCULATING ELECTROSTATIC FORCES IN MOLECULAR-DYNAMICS USING THE FINITE-DIFFERENCE POISSON-BOLTZMANN METHOD
SHARP, K
BIOPHYSICAL JOURNAL, 1990, 57 (02) : A10 - A10
[5] INCORPORATING SOLVENT AND ION SCREENING INTO MOLECULAR-DYNAMICS USING THE FINITE-DIFFERENCE POISSON-BOLTZMANN METHOD
SHARP, K
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1991, 12 (04) : 454 - 468
[6] Biomolecular dynamics simulations based on the finite-difference Poisson-Boltzmann method
Cai, Qin
Ye, Xiang
Wang, Jun
Hsieh, Mengjueh
Luo, Ray
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
[7] COUPLING POISSON-BOLTZMANN FINITE-DIFFERENCE METHODS WITH MOLECULAR MECHANICS AND MOLECULAR-DYNAMICS
MADURA, JD
GILSON, MK
BIOPHYSICAL JOURNAL, 1993, 64 (02) : A220 - A220
[8] Binding evaluation using the finite difference solution to the linearized Poisson-Boltzmann equation and solvation entropy correction
Shen, Jian
ACS Symposium Series, 719 : 53 - 69
[9] Atomic charge parameters for the finite difference Poisson-Boltzmann method using electronegativity neutralization
Yang, Qingyi
Sharp, Kim A.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2006, 2 (04) : 1152 - 1167
[10] Achieving energy conservation in Poisson-Boltzmann molecular dynamics: Accuracy and precision with finite-difference algorithms
Wang, Jun
Cai, Qin
Li, Zhi-Lin
Zhao, Hong-Kai
Luo, Ray
CHEMICAL PHYSICS LETTERS, 2009, 468 (4-6) : 112 - 118

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