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Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding, and Intrinsically Disordered Proteins Using Polarizable Force Fields 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2018, 卷号: 9, 期号: 24, 页码: 7110-7116
作者:  Wang, Anhui;  Li, Guohui;  Zhang, Zhichao
收藏  |  浏览/下载：24/0  |  提交时间：2019/06/20
Higher accuracy achieved in the simulations of protein structure refinement, protein folding, and intrinsically disordered proteins using polarizable force fields 期刊论文
Journal of physical chemistry letters, 2018, 卷号: 9, 期号: 24, 页码: 7110-7116
作者:  Wang, Anhui;  Zhang, Zhichao;  Li, Guohui
收藏  |  浏览/下载：43/0  |  提交时间：2019/05/08
Atomistic simulation study on the shear behavior of Ag/MgO interface 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 155, 页码: 116-128
作者:  Fu X Q;  Liang LH(梁立红);  Wei YG(魏悦广)
收藏  |  浏览/下载：69/0  |  提交时间：2018/12/12
Exploring molecular mechanism of allosteric inhibitor to relieve drug resistance of multiple mutations in HIV-1 protease by enhanced conformational sampling 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2018, 卷号: 86, 期号: 12, 页码: 1294-1305
作者:  Chen, Jianzhong;  Peng, Cheng;  Wang, Jinan;  Zhu, Weiliang
收藏  |  浏览/下载：59/0  |  提交时间：2019/01/08
Rate coefficients of the H + H2O2 -> H-2 + HO2 reaction on an accurate fundamental invariant-neural network potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 7
作者:  Lu, Xiaoxiao;  Meng, Qingyong;  Wang, Xingan;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20
Rate coefficients of the h + h2o2 -> h-2 + ho2 reaction on an accurate fundamental invariant-neural network potential energy surface 期刊论文
Journal of chemical physics, 2018, 卷号: 149, 期号: 17, 页码: 7
作者:  Lu, Xiaoxiao;  Meng, Qingyong;  Wang, Xingan;  Fu, Bina;  Zhang, Dong H.
收藏  |  浏览/下载：46/0  |  提交时间：2019/05/08
Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 154, 页码: 315-324
作者:  Meng CY(孟昶宇);  Liao LJ(廖丽涓);  Huang CG(黄晨光)
收藏  |  浏览/下载：55/0  |  提交时间：2018/10/30
Graphene Foam: Hole-Flake Network for Uniaxial Supercompression and Recovery Behavior 期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 11, 页码: 11491-11502
作者:  Pan DX(潘斗兴);  Wang C(王超);  Wang XJ
收藏  |  浏览/下载：29/0  |  提交时间：2019/05/30
Graphene Foam: Hole-Flake Network for Uniaxial Supercompression and Recovery Behavior 期刊论文
ACS NANO, 2018, 卷号: 12, 期号: 11, 页码: 11491-11502
作者:  Pan, Douxing;  Wang, Chao;  Wang, Xiaojie
收藏  |  浏览/下载：68/0  |  提交时间：2019/12/25

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