半柔性打结大分子穿过纳米孔道过程的计算机模拟

21863003
2018
B0309.高分子物理与高分子物理化学
杨志勇
地区科学基金项目
副教授
江西农业大学
41万元
非平衡态动力学;蠕虫状链模型;标度理论
2019-01-01到2022-12-31
  • 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 A Trefoil Knot Polymer Chain Translocates through a Funnel-like Channel: A Multi-Particle Collision Dynamics study 期刊论文 Xiaohui Wen;Deyin Wang;Jiajun Tang;Zhiyong Yang
2 Conformational behavior of single circular semiflexible polyelectrolyte in presence of multivalent counterions 期刊论文 Zhiyong Yang;Wenlong Lin;Aihua Chai;Dan Lu;Nianqian Kang;Linxi Zhang
3 Binding Selectivity of Inhibitors toward Bromodomains BAZ2A and BAZ2B Uncovered by Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations 期刊论文 Lifei Wang;Yan Wang;Zhiyong Yang;Shuobo Xu;Hongyun Li
4 Penetration of linear chains into semiflexible knotted rings in linear-ring blends 期刊论文 Fuchen Guo;Jiaxin Wu;Zhiyong Yang;Ke Li;Linxi Zhang
5 Binding selectivity-dependent molecular mechanism of inhibitors towards CDK2 and CDK6 investigated by multiple short molecular dynamics and free energy landscapes 期刊论文 Lifei Wang;Dan Lu;Yan Wang;Xiaoyan Xu;Peihua Zhong;Zhiyong Yang
6 Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations 期刊论文 Yan Wang;Shiliang Wu;Lifei Wang;Zhiyong Yang;Juan Zhao;Lulu Zhang
7 Vesicle Geometries Enabled by Semiflexible Polymer 期刊论文 Ping Li;Nianqiang Kang;Aihua Chai;Dan Hou;Shuiping Luo;Zhiyong Yang
8 Revealing binding selectivity of inhibitors toward bromodomain-containing proteins 2 and 4 using multiple short molecular dynamics simulations and free energy analyses 期刊论文 Lifei Wang;Yan Wang;Zhiyong Yang;Juan Zhao;Haibo Sun;Shiliang Wu
9 Perfect helical structure of semiflexible polyelectrolyte chain confined in a cylinder 期刊论文 Zhiyong Yang;Linli He;Linxi Zhang
10 Theoretical exploration of the binding selectivity of inhibitors to BRD7 and BRD9 with multiple short molecular dynamics simulations 期刊论文 Lifei Wang;Yan Wang;Juan Zhao;Yingxia Xu;Nianqian Kang;Zhiyong Yang
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