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Enhancing specificity in the Janus kinases: a study on the thienopyridine JAK2 selective mechanism combined molecular dynamics simulation 期刊论文
MOLECULAR BIOSYSTEMS, 2016, 卷号: 12, 期号: 2, 页码: 575-587
作者:  Li, JJ;  Cheng, P;  Tu, J;  Zhai, HL;  Zhang, XY
收藏  |  浏览/下载:4/0  |  提交时间:2017/01/11
VLN2 Regulates Plant Architecture by Affecting Microfilament Dynamics and Polar Auxin Transport in Rice 期刊论文
PLANT CELL, 2015, 卷号: 27, 期号: 10, 页码: 2829-2845
作者:  Wu, Shengyang;  Xie, Yurong;  Zhang, Junjie;  Ren, Yulong;  Zhang, Xin
收藏  |  浏览/下载:6/0  |  提交时间:2016/12/05
Effects of the A117V mutation on the folding and aggregation of palindromic sequences (PrP113-120) in prion: insights from replica exchange molecular dynamics simulations 期刊论文
Molecular BioSystems, 2015, 卷号: 11, 期号: 2, 页码: 647-655
作者:  Ning, LL;  Wang, QQ;  Zheng, Y;  Liu, HX;  Yao, XJ
收藏  |  浏览/下载:7/0  |  提交时间:2016/03/29
Computational studies on the binding mechanism between triazolone inhibitors and Chk1 by molecular docking and molecular dynamics 期刊论文
MOLECULAR BIOSYSTEMS, 2015, 卷号: 11, 期号: 1, 页码: 275-286
作者:  Ma, MLS;  Tian, YL;  Zhang, XY;  Lv, WJ;  Zhai, HL
收藏  |  浏览/下载:1/0  |  提交时间:2016/03/29
pH effects on the structural dynamics of cutinase from Trichoderma reesei: insights from molecular dynamics simulations 期刊论文
MOLECULAR BIOSYSTEMS, 2015, 卷号: 11, 期号: 11, 页码: 3149-3155
作者:  Duan, ML;  Liu, L;  Du, J;  Yao, XJ
收藏  |  浏览/下载:1/0  |  提交时间:2017/01/11
The role of Cys179-Cys214 disulfide bond in the stability and folding of prion protein: insights from molecular dynamics simulations 期刊论文
JOURNAL OF MOLECULAR MODELING, 2014, 卷号: 20, 期号: 2
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收藏  |  浏览/下载:6/0  |  提交时间:2014/12/05
Exploration of the antagonist CP-376395 escape pathway for the corticotropin-releasing factor receptor 1 by random acceleration molecular dynamics simulations 期刊论文
MOLECULAR BIOSYSTEMS, 2014, 卷号: 10, 期号: 7, 页码: 1958-1967
作者:  Bai, QF;  Shi, DF;  Zhang, Y;  Liu, HX;  Yao, XJ
收藏  |  浏览/下载:1/0  |  提交时间:2015/05/21
Helix Unfolding/Refolding Characterizes the Functional Dynamics of Staphylococcus aureus Clp Protease 期刊论文
JOURNAL OF BIOLOGICAL CHEMISTRY, 2013, 卷号: 288, 期号: 24
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收藏  |  浏览/下载:5/0  |  提交时间:2014/12/05
Targeted molecular dynamics (TMD) of the full-length KcsA potassium channel: on the role of the cytoplasmic domain in the opening process 期刊论文
JOURNAL OF MOLECULAR MODELING, 2013, 卷号: 19, 期号: 4
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收藏  |  浏览/下载:2/0  |  提交时间:2014/12/05
Understanding the molecular mechanism of the broad and potent neutralization of HIV-1 by antibody VRC01 from the perspective of molecular dynamics simulation and binding free energy calculations 期刊论文
JOURNAL OF MOLECULAR MODELING, 2012, 卷号: 18, 期号: 9
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收藏  |  浏览/下载:4/0  |  提交时间:2014/12/05


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