离子通道运输的原子到连续尺度计算方法

91230105
2012
A0504.微分方程数值解
Jakob Ulmschneider-Mayer
重大研究计划
教授
上海交通大学
65万元
离子运输;钾离子通道;Poisson-Nernst-Planck方程;多尺度建模;分子动力学
2013-01-01到2015-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
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序号 标题 类型 作者
1 How reliable are molecular dynamics simulations of membrane active antimicrobial peptides? 期刊论文 D. Wei|E. Strandberg|A. S. Ulrich|J. P. Ulmschneider|
2 Accuracy and efficiency in computing electrostatic potential for an ion channel model in layered dielectric/electrolyte media 期刊论文 Huimin Lin|Huazhong Tang|Wei Cai|
3 Investigating theSelectivity of KcsA Channel by anImage Charge Solvation Method (ICSM) inMolecular Dynamics Simulations 期刊论文 Baker, K|Chen, D|Cai, Wei|
4 Theoretical Studies on the Mechanism, Enantioselectivity, and Axial Ligand Effect of a Ru(salen)-Catalyzed Asymmetric Cyclopropanation Reaction 期刊论文 Xiao-Lei Wang|Shaoyong Lu|Yi-Lei Zhao|Jian Zhang|
5 well-conditionedhypersingular boundary element method for electrostatic potentials in thepresence of inhomogeneities within layered media 期刊论文 Zinser, Brian|Cai, Wei|
6 Spontaneous transmembrane helix insertion thermodynamically mimics translocon-guided insertion 期刊论文 M. B. Ulmschneider, J. P. Ulmschneider, N. Schill|S. H. White|
7 Mechanisms of molecular transport through the urea channel of Helicobacter pylori 期刊论文 R. McNulty|Jakob Ulmschneider|Martin Ulmschneider|H. Luecke|
8 Insightsfrom Micro-second Atomistic Simulations of Melittin in Thin Lipid Bilayers 期刊论文 Sanjay Upadhyay|Tangzhen Zhao|Yukun Wang|Jakob Ulmschneider|
9 Molecular Dynamics of Ion Transport through the Open Conformation of a Bacterial Voltage-Gated Sodium Channel 期刊论文 Markus Delling|David E. Clapham|Jakob Ulmschneider|B. A. Wallace|
10 Features of S-nitrosylation based on statistical analysis and molecular dynamics simulation: cysteine acidity, surrounding basicity, steric hindrance and local flexibility 期刊论文 Hongyi Wu|Lu Xie|Yixue Li|Yi-Lei Zhao|
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