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pH-Dependent Coordination of Pb2+ to Metallothionein2: Structures and Insight into Lead Detoxification 期刊论文
http://dx.doi.org/10.1021/ic402452s, 2014
He, Yonghui; Liu, Mengmeng; Darabedian, Narek; Liang, Yizeng; Wu, Deyin; Xiang, Juan; Zhou, Feimeng; 吴德印
收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22
Perturbative Treatment of Anharmonic Vibrational Effects on Bond Distances: An Extended Langevin Dynamics Method 期刊论文
http://dx.doi.org/10.1002/jcc.23516, 2014
Shen, Tonghao; Su, Neil Qiang; Wu, Anan; Xu, Xin; 吴安安; 徐昕
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
How Solvent Influences the Anomeric Effect: Roles of Hyperconjugative versus Steric Interactions on the Conformational Preference 期刊论文
http://dx.doi.org/10.1021/jo402306e, 2014
Wang, Changwei; Ying, Fuming; Wu, Wei; Mo, Yirong; 吴玮; 莫亦荣
收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22
Optimization of molecular organization and nanoscale morphology for high performance low bandgap polymer solar cells 期刊论文
http://dx.doi.org/10.1039/c3nr06298h, 2014
He, Ming; Wang, Mengye; Lin, Changjian; Lin, Zhiqun; 林昌健
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
Loop motion and base release in purine-specific nucleoside hydrolase: A molecular dynamics study 期刊论文
http://dx.doi.org/10.1016/j.bbapap.2013.02.005, 2013
Chen, Nanhao; Ge, Hu; Xu, Jun; Cao, Zexing; Wu, Ruibo; 曹泽星
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Static and dynamic properties of grafted ring polymer: Molecular dynamics simulation 期刊论文
http://dx.doi.org/10.1088/1674-1056/22/1/016101, 2013
He Su-Zhen; Merlitz, Holger; Su Chan-Fei; Wu Chen-Xu; 吴晨旭
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Induced Dipoles Incorporated into All-Atom Zn Protein Simulations with Multiscale Modeling 期刊论文
http://dx.doi.org/10.1021/jp4021933, 2013
Huang, Yan-Dong; Shua, Jian-Wei; 帅建伟
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Inclusion Free Energy of Nanoparticles in Polymer Brushes 期刊论文
2012
Merlitz, Holger; Wu, Chen-Xu; 吴晨旭; Sommer, Jens-Uwe
收藏  |  浏览/下载：2/0  |  提交时间：2013/01/06
Computational Simulations of Zinc Enzyme: Challenges and Recent Advances 期刊论文
2012
Wu Ruibo; Cao Zexing; 曹泽星; Zhang Yingkai
收藏  |  浏览/下载：2/0  |  提交时间：2013/03/21
XYG3 and XYGJ-OS performances for noncovalent binding energies relevant to biomolecular structures 期刊论文
http://dx.doi.org/10.1039/c2cp40904f, 2012
Zhang, Igor Ying; Xu, Xin; 徐昕
收藏  |  浏览/下载：7/0  |  提交时间：2015/07/22

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