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Real-time structural signatures of protein allostery by electrically- and mechanically-coupled sensing 期刊论文
NANO TODAY, 2024, 卷号: 55, 页码: 10
作者:  Zhang, Mingkun;  Zheng, Zhi;  Zhou, Jin;  Ding, Qihan;  Long, Mian;  Lue, Shouqin
收藏  |  浏览/下载:5/0  |  提交时间:2024/04/07
Nanopore sensing  Atomic force microscopy (AFM)  Protein allostery  Steered molecular dynamics (SMD)  Spheroid approximation  
Electronic Configuration Tuning of Centrally Extended Non-Fullerene Acceptors Enabling Organic Solar Cells with Efficiency Approaching 19?% 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2023, 页码: 11
作者:  Duan, Tainan;  Feng, Wanying;  Li, Yulu;  Li, Zhixiang;  Zhang, Zhe;  Liang, Huazhe;  Chen, Hongbin;  Zhong, Cheng;  Jeong, Seonghun;  Yang, Changduk;  Chen, Shanshan;  Lu, Shirong;  Rakitin, Oleg A.;  Li, Chenxi;  Wan, Xiangjian;  Kan, Bin;  Chen, Yongsheng
收藏  |  浏览/下载:15/0  |  提交时间:2023/12/25
Electron-Deficient Central Core  Electronic Configuration Tuning  Non-Fullerene Acceptor  Organic Solar Cells  Molecular Dynamics Simulations  
Effect of Ni2+ on Lithium-Ion Diffusion in Layered LiNi1-x-yMnxCoyO2 Materials 期刊论文
CRYSTALS, 2021, 卷号: 11, 期号: 5, 页码: 12
作者:  Zhu, Yuanyuan;  Huang, Yang;  Du, Rong;  Tang, Ming;  Wang, Baotian;  Zhang, Junrong
收藏  |  浏览/下载:72/0  |  提交时间:2021/08/20
lithium-ion batteries  Li-ion diffusion  Li/Ni anti-site  molecular dynamics  
Multi-scale molecular dynamics simulations and applications on mechanosensitive proteins of integrins* 期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30, 期号: 3, 页码: 8
作者:  Lu, Shouqin;  Ding, Qihan;  Zhang, Mingkun;  Long, Mian
收藏  |  浏览/下载:136/0  |  提交时间:2021/04/20
molecular dynamics simulations  mechanosensitive protein  allosteric dynamics  integrin  
Molecular dynamics study on the Li diffusion mechanism and delithiation process of Li2MnO3 期刊论文
SOLID STATE IONICS, 2020, 卷号: 346, 页码: 8
作者:  Huang, Yang;  Liu, Long;  Gao, Min
收藏  |  浏览/下载:104/0  |  提交时间:2020/02/18
Li2MnO3  Molecular dynamics  Diffusion  Delithiation  
Molecular dynamics simulations of conformation and chain length dependent terahertz spectra of alanine polypeptides 期刊论文
MOLECULAR SIMULATION, 2016, 卷号: 42, 期号: 5, 页码: 398-404
作者:  Zhang, Mingkun;  Wei, Dongshan;  Tang, Mingjie;  Shi, Changcheng;  Cui, Hong-liang;  Du, Chunlei
收藏  |  浏览/下载:143/0  |  提交时间:2018/03/15
terahertz spectra  molecular dynamics  alanine polypeptides  chain length  conformation  hydrogen bond  
Thermal conductivities of graphyne nanotubes from atomistic simulations 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2015, 卷号: 106, 页码: 69-75
作者:  Zhao, Han;  Wei, Dongshan;  Zhou, Lina;  Shi, Haofei;  Zhou, Xinjian
Adobe PDF(1571Kb)  |  收藏  |  浏览/下载:65/0  |  提交时间:2018/03/15
Graphyne Nanotube  Thermal Conductivity  Non-equilibrium Molecular Dynamics  Carbon Nanotube  Thermoelectric  Density Of States