Molecular dynamics simulation with Poisson-Boltzmann electrostatics.

被引：0
|
作者：
Madura, JD
Gilson, M
Wierzbicki, A
机构：
[1] UNIV S ALABAMA,DEPT CHEM,MOBILE,AL 36688
[2] NIST,CARB,ROCKVILLE,MD 20850
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1997年 / 214卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
引用
收藏
页码：192 / COMP
页数：1
相关论文
共 50 条
  • [31] A Poisson-Boltzmann dynamics method with nonperiodic boundary condition
    Lu, Q
    Luo, R
    JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (21): : 11035 - 11047
  • [32] Poisson-Boltzmann Brownian dynamics of charged colloids in suspension
    Dobnikar, J
    Halozan, D
    Brumen, M
    von Grünberg, HH
    Rzehak, R
    COMPUTER PHYSICS COMMUNICATIONS, 2004, 159 (02) : 73 - 92
  • [33] Integrability and dynamics of the Poisson-Boltzmann equation in simple geometries
    Huang, Kaiyin
    Shi, Shaoyun
    Yang, Shuangling
    COMMUNICATIONS IN NONLINEAR SCIENCE AND NUMERICAL SIMULATION, 2024, 130
  • [34] Scrutinizing human MHC polymorphism: Supertype analysis using Poisson-Boltzmann electrostatics and clustering
    Mumtaz, Shahzad
    Nabney, Ian T.
    Flower, Darren R.
    JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2017, 77 : 130 - 136
  • [35] Harmonic averaging of smooth permittivity functions in finite-difference Poisson-Boltzmann Electrostatics
    Kottmann, Stephen T.
    THEORETICAL CHEMISTRY ACCOUNTS, 2008, 119 (5-6) : 421 - 427
  • [36] Poisson-Boltzmann analytical gradients for molecular modeling calculations
    Friedrichs, M
    Zhou, RH
    Edinger, SR
    Friesner, RA
    JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (16): : 3057 - 3061
  • [37] AFMPB: An adaptive fast multipole, Poisson-Boltzmann solver for calculating electrostatics in biomolecular systems
    Lu, Benzhuo
    Cheng, Xiaolin
    Huang, Jingfang
    McCammon, J. Andrew
    COMPUTER PHYSICS COMMUNICATIONS, 2010, 181 (06) : 1150 - 1160
  • [38] A nonlocal modified Poisson-Boltzmann equation and finite element solver for computing electrostatics of biomolecules
    Xie, Dexuan
    Jiang, Yi
    JOURNAL OF COMPUTATIONAL PHYSICS, 2016, 322 : 1 - 20
  • [39] Contact pairs of RNA with magnesium ions-electrostatics beyond the Poisson-Boltzmann equation
    Fingerhut, Benjamin Philipp
    Schauss, Jakob
    Kundu, Achintya
    Elsaesser, Thomas
    BIOPHYSICAL JOURNAL, 2021, 120 (23) : 5322 - 5332
  • [40] Electrostatics of ligand binding: Parametrization of the generalized born model and comparison with the Poisson-Boltzmann approach
    Liu, HY
    Zou, XQ
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (18): : 9304 - 9313
12345