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CORC

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Energetic factors determining the binding of type I inhibitors to c-Met kinase: experimental studies and quantum mechanical calculations 期刊论文
ACTA PHARMACOLOGICA SINICA, 2013, 卷号: 34, 期号: 11, 页码: 1475-1483
作者:  Yu, Zhe;  Ma, Yu-chi;  Ai, Jing;  Chen, Dan-qi;  Zhao, Dong-mei
收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08
Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin 期刊论文
biochemistry, 2013, 卷号: 52, 期号: 37, 页码: 6467-6479
作者:  Qiao, Yan;  Han, Keli;  Zhan, Chang-Guo
收藏  |  浏览/下载：18/0  |  提交时间：2014/09/11
Light extraction improvement of InGaN light-emitting diodes with large-area highly ordered ITO nanobowls photonic crystal via self-assembled nanosphere lithography 期刊论文
AIP ADVANCES, 2013, 卷号: 3, 期号: 9, 页码: 092124/1-092124/7
作者:  Wu K;  Zhang YY;  Wei TB;  Lan D(蓝鼎);  Sun B
收藏  |  浏览/下载：25/0  |  提交时间：2013/11/06
Insight into the Cosolvent Effect of Cellulose Dissolution in Imidazolium-Based Ionic Liquid Systems 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 30, 页码: 9042-9049
作者:  Zhao, Yuling;  Liu, Xiaomin;  Wang, Jianji;  Zhang, Suojiang
收藏  |  浏览/下载：14/0  |  提交时间：2015/05/05
Non-Gaussian Fluctuations and Non-Markovian Effects in the Nuclear Fusion Process: Langevin Dynamics Emerging from Quantum Molecular Dynamics Simulations 期刊论文
PHYSICAL REVIEW LETTERS, 2013, 卷号: 111
作者:  Wen, Kai;  Sakata, Fumihiko;  Li, Zhu-Xia;  Wu, Xi-Zhen;  Zhang, Ying-Xun
收藏  |  浏览/下载：11/0  |  提交时间：2018/07/05
Binding Free Energy Estimation for Protein-Ligand Complex Based on MM-PBSA with Various Partial Charge Models 期刊论文
current pharmaceutical design, 2013, 卷号: 19, 期号: 12, 页码: 2293-2307
作者:  Fu, Ting;  Jin, Zhong;  Xiu, Zhilong;  Li, Guohui
收藏  |  浏览/下载：14/0  |  提交时间：2015/11/09
Algorithms of GPU-enabled reactive force field (ReaxFF) molecular dynamics 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 41, 期号: 0, 页码: 1-11
作者:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载：27/0  |  提交时间：2015/05/05
A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-beta-lactamase-1 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2013, 卷号: 27, 期号: 3, 页码: 247-256
作者:  Zhu, Kongkai;  Lu, Junyan;  Liang, Zhongjie;  Kong, Xiangqian;  Ye, Fei
收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08
Non-Gaussian Fluctuations and Non-Markovian Effects in the Nuclear Fusion Process: Langevin Dynamics Emerging from Quantum Molecular Dynamics Simulations 期刊论文
PHYSICAL REVIEW LETTERS, 2013, 卷号: 111, 期号: 1, 页码: 12501
作者:  Zhou, SG
收藏  |  浏览/下载：13/0  |  提交时间：2014/04/25
Dynamic stabilization of ionization for an atom irradiated by high-frequency laser pulses studied with the Bohmian-trajectory scheme 期刊论文
PHYSICAL REVIEW A, 2013, 卷号: 87, 期号: 6
Wei, Shan-Shan; Li, Su-Yu; Guo, Fu-Ming; Yang, Yu-Jun
收藏  |  浏览/下载：21/0  |  提交时间：2014/01/17

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