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Chinese Academy of Sciences Institutional Repositories Grid
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数学与系统科学研究... [11]
长春应用化学研究所 [3]
上海药物研究所 [2]
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期刊论文 [17]
会议论文 [2]
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2019 [1]
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2013 [2]
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Model reduction-based initialization methods for solving the Poisson-Nernst-Plank equations in three-dimensional ion channel simulations
期刊论文
OAI收割
JOURNAL OF COMPUTATIONAL PHYSICS, 2020, 卷号: 419, 页码: 18
作者:
Zhang, Qianru
;
Gui, Sheng
;
Li, Hongliang
;
Lu, Benzhuo
  |  
收藏
  |  
浏览/下载:37/0
  |  
提交时间:2021/04/26
Reduced model
Poisson-Nernst-Planck
Smoluchowski-Poisson-Boltzmann
Initialization
Linear approximation of PNP model
Finite element method
DASHMM Accelerated Adaptive Fast Multipole Poisson-Boltzmann Solver on Distributed Memory Architecture
期刊论文
OAI收割
COMMUNICATIONS IN COMPUTATIONAL PHYSICS, 2019, 卷号: 25, 期号: 4, 页码: 1235-1258
作者:
Zhang, Bo
;
DeBuhr, Jackson
;
Niedzielski, Drake
;
Mayolo, Silvio
;
Lu, Benzhuo
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2019/03/05
Poisson-Boltzmann equation
boundary element method
DASHMM
distributed computing
A Finite Element Solution of Lateral Periodic Poisson-Boltzmann Model for Membrane Channel Proteins
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2018, 卷号: 19, 期号: 3, 页码: 17
作者:
Ji, Nan
;
Liu, Tiantian
;
Xu, Jingjie
;
Shen, Longzhu Q.
;
Lu, Benzhuo
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2018/07/30
laterally periodic Poisson-Boltzmann model
finite element method
membrane channel proteins
pore region
solvation
Introducing Membrane Transport Energy into the Design of Sustainable Chemicals against Cytotoxicity
期刊论文
OAI收割
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2018, 卷号: 6, 期号: 2, 页码: 2055-2061
作者:
Shen, Longzhu Q.
;
Nan, Ji
;
Lu, Benzhuo
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2018/07/30
DFT
Cytotoxicity
Membrane
Finite element
Poisson Boltzmann
Geometry
Sustainability
ANALYSIS OF THE MEAN FIELD FREE ENERGY FUNCTIONAL OF ELECTROLYTE SOLUTION WITH NONHOMOGENOUS BOUNDARY CONDITIONS AND THE GENERALIZED PB/PNP EQUATIONS WITH INHOMOGENEOUS DIELECTRIC PERMITTIVITY
期刊论文
OAI收割
SIAM JOURNAL ON APPLIED MATHEMATICS, 2018, 卷号: 78, 期号: 2, 页码: 1131-1154
作者:
Liu, Xuejiao
;
Qiao, Yu
;
Lu, Benzhou
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2018/07/30
free energy functional
electrolyte
boundary conditions
variable dielectric
generalized Poisson-Nernst-Planck/Poisson-Boltzmann equations
energy law
STABILITY OF THE SUPERPOSITION OF A VISCOUS CONTACT WAVE WITH TWO RAREFACTION WAVES TO THE BIPOLAR VLASOV POISSON BOLTZMANN SYSTEM
期刊论文
OAI收割
SIAM JOURNAL ON MATHEMATICAL ANALYSIS, 2018, 卷号: 50, 期号: 2, 页码: 1829-1876
作者:
Li, Hai-Liang
;
Wang, Teng
;
Wang, Yi
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2018/07/30
bipolar Vlasov Poisson Boltzmann system
rarefaction wave
viscous contact wave
time-asymptotic stability
micro-macro decomposition
Interaction assessments of the first S-adenosylmethionine competitive inhibitor and the essential interacting partner methylosome protein 50 with protein arginine methyltransferase 5 by combined computational methods
期刊论文
OAI收割
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2018, 卷号: 495, 期号: 1, 页码: 721-727
作者:
Zhu, Kongkai
;
Jiang, Cheng-Shi
;
Hu, Junchi
;
Liu, Xigong
;
Yan, Xue
  |  
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/01/08
PRMT5 SAM competitive inhibitor
Molecular docking
Molecular dynamics simulation
Molecular mechanics/Poisson-Boltzmann surface area
PRMT5:MEP50 interaction
THE VLASOV-POISSON-BOLTZMANN SYSTEM NEAR MAXWELLIANS FOR LONG-RANGE INTERACTIONS
期刊论文
OAI收割
ACTA MATHEMATICA SCIENTIA, 2016, 卷号: 36, 期号: 4, 页码: 1049-1097
作者:
Wang, Lusheng
;
Xiao, Qinghua
;
Xiong, Linjie
;
Zhao, Huijiang
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2016/11/04
One-species Vlasov-Poisson-Boltzmann system
long-range interactions
global solutions near Maxwellians
time-velocity weighted energy method
溶剂重组效应对平行带电板间离子溶液电容率影响的理论研究
会议论文
OAI收割
中国化学会2014年大分子体系理论、模拟与计算研讨会, 中国吉林长春, 2014-06-18
陈洪波
;
中村一成
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2015/12/15
电容器
介电非均一性
Poisson-Boltzmann方程
Booth介电方程
Structure-based computational study of the hydrolysis of New Delhi metallo-beta-lactmase-1
期刊论文
OAI收割
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS, 2013, 卷号: 431, 期号: 1, 页码: 2-7
作者:
Zhu, Kongkai
;
Lu, Junyan
;
Ye, Fei
;
Jin, Lu
;
Kong, Xiangqian
  |  
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2019/01/08
New Delhi metallo-beta-lactmase-1
Metallo-beta-lactamase
Molecular dynamics simulations
Molecular mechanics/Poisson-Boltzmann surface area