Parallelized DelPhi: A multiprocessor Poisson-Boltzmann solver to calculate electrostatic energies of biological macromolecules

被引：0
|
作者：
Li, Chuan [1 ]
Li, Lin [1 ]
Alexov, Emil [1 ]
机构：
[1] Clemson Univ, Dept Phys & Astromony, Clemson, SC 29634 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2012年 / 244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：
257-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [1] New Parallelized DelPhi: Fast and Efficient Poisson-Boltzmann Solver to Calculate Electrostatics of Large Supramolecular Structures
    Li, Chuan
    Zhenirovskyy, Maxim
    Li, Lin
    Alexov, Emil
    BIOPHYSICAL JOURNAL, 2012, 102 (03) : 270A - 270A
  • [2] A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments
    Fisicaro, G.
    Genovese, L.
    Andreussi, O.
    Marzari, N.
    Goedecker, S.
    JOURNAL OF CHEMICAL PHYSICS, 2016, 144 (01):
  • [3] Accurate estimation of electrostatic binding energy with Poisson-Boltzmann equation solver DelPhi program
    Li, Anbang
    Gao, Kaifu
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2016, 15 (08):
  • [4] Performance comparison of Poisson-Boltzmann equation solvers DelPhi and PBSA in calculation of electrostatic solvation energies
    Li, Anbang
    JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2014, 13 (05):
  • [5] Computing electrostatic binding energy with the TABI Poisson-Boltzmann solver
    Wilson, Leighton
    Hu, Jingzhen
    Chen, Jiahui
    Krasny, Robert
    Geng, Weihua
    COMMUNICATIONS IN INFORMATION AND SYSTEMS, 2022, 22 (02) : 247 - 273
  • [6] CALCULATING TOTAL ELECTROSTATIC ENERGIES WITH THE NONLINEAR POISSON-BOLTZMANN EQUATION
    SHARP, KA
    HONIG, B
    JOURNAL OF PHYSICAL CHEMISTRY, 1990, 94 (19): : 7684 - 7692
  • [7] GPU linear and non-linear Poisson-Boltzmann solver module for DelPhi
    Colmenares, Jose
    Ortiz, Jesus
    Rocchia, Walter
    BIOINFORMATICS, 2014, 30 (04) : 569 - 570
  • [8] Electrostatic forces in the Poisson-Boltzmann systems
    Xiao, Li
    Cai, Qin
    Ye, Xiang
    Wang, Jun
    Luo, Ray
    JOURNAL OF CHEMICAL PHYSICS, 2013, 139 (09):
  • [9] Simple and robust solver for the Poisson-Boltzmann equation
    Baptista, M.
    Schmitz, R.
    Duenweg, B.
    PHYSICAL REVIEW E, 2009, 80 (01)
  • [10] Electrostatic potential around charged finite rodlike macromolecules: nonlinear Poisson-Boltzmann theory
    Chapot, D
    Bocquet, L
    Trizac, E
    JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2005, 285 (02) : 609 - 618
12345