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Free energy profiles of cocaine esterase-cocaine binding process by molecular dynamics and potential of mean force simulations 期刊论文
CHEMICO-BIOLOGICAL INTERACTIONS, 2016, 卷号: 259, 页码: 142-147
作者:  Zheng, Fang;  Zhang, Yuxin;  Huang, Xiaoqin;  Han, Keli;  Zhan, Chang-Guo
收藏  |  浏览/下载：23/0  |  提交时间：2017/10/29
Molecular docking for drug discovery and development: a widely used approach but far from perfect 期刊论文
FUTURE MEDICINAL CHEMISTRY, 2016, 卷号: 8, 期号: 14
作者:  Wang, Guimin;  Zhu, Weiliang
收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08
Computational study on the binding and unbinding mechanism of HCV NS5B with the inhibitor GS-461203 and substrate using conventional and steered molecular dynamics simulations 期刊论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2016, 卷号: 156, 页码: 72-80
作者:  Pan, DB;  Niu, YZ;  Ning, LL;  Zhang, Y;  Liu, HX
收藏  |  浏览/下载：5/0  |  提交时间：2017/01/12
α decay studies of the neutron-deficient uranium isotopes215-217U 期刊论文
科学通报, 2016, 卷号: 61, 期号: 22, 页码: 2502-2511
作者:  Gan, Zaiguo;  Jiang, Jian;  Yang, Huabin;  Zhang, Zhiyuan;  Ma, Long
收藏  |  浏览/下载：7/0  |  提交时间：2017/01/13
Storage ring mass spectrometry for nuclear structure and astrophysics research 期刊论文
PHYSICA SCRIPTA, 2016, 卷号: 91, 页码: 21
作者:  Zhang, Y. H.;  Uesaka, T.;  Xu, H. S.;  Litvinov, Yu A.
收藏  |  浏览/下载：15/0  |  提交时间：2018/05/31
Simulation of coupled folding and binding of an intrinsically disordered protein in explicit solvent with metadynamics 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2016, 卷号: 68, 期号: JULY, 页码: 114-127
作者:  Han, Mengzhi;  Xu, Ji;  Ren, Ying;  Li, Jinghai
收藏  |  浏览/下载：29/0  |  提交时间：2016/11/21
Bonding and electronic properties of the Cu2ZnSnS4 /WZ-ZnO interface from first-principles calculations 期刊论文
Journal of Physics D: Applied Physics, 2016, 卷号: 49, 期号: 28
作者:  Cheng, Yu-Wen;  Tang, Fu-Ling;  Xue, Hong-Tao;  Liu, Hong-Xia;  Gao, Bo
收藏  |  浏览/下载：0/0  |  提交时间：2020/11/14
Computational study on the drug resistance mechanism of hepatitis C virus NS5B RNA-dependent RNA polymerase mutants to BMS-791325 by molecular dynamics simulation and binding free energy calculations 会议论文
15th Conference on Chemometrics in Analytical Chemistry, Changsha, PEOPLES R CHINA, JUN 22-26, 2015
作者:  Pan, DB;  Niu, YZ;  Xue, WW;  Bai, QF;  Liu, HX
收藏  |  浏览/下载：3/0  |  提交时间：2017/01/20
Effect of Wigner energy on the symmetry energy coefficient in nuclei 期刊论文
CHINESE PHYSICS C, 2016, 卷号: 40, 期号: 9, 页码: 94101
作者:  Tian, JL;  Cui, HT;  Gao, T;  Wang, N
收藏  |  浏览/下载：14/0  |  提交时间：2019/04/08
Electronic Casimir-Polder Force in a One-dimensional Tight-Binding Nanowire at Finite Temperature 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2016, 卷号: 66, 期号: 5, 页码: 541-546
作者:  Yang, H;  Yang, LP;  Zheng, TY
收藏  |  浏览/下载：10/0  |  提交时间：2019/04/08

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