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A CPU/MIC Collaborated Parallel Framework for GROMACS on Tianhe-2 Supercomputer 期刊论文
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2019, 卷号: 16, 期号: 2, 页码: 425-433
作者:  Peng, Shaoliang;  Cui, Yingbo;  Yang, Shunyun;  Su, Wenhe;  Zhang, Xiaoyu
收藏  |  浏览/下载:8/0  |  提交时间:2019/12/11
Heparin-reduced graphene oxide nanocomposites for curcumin delivery: in vitro, in vivo and molecular dynamics simulation study 期刊论文
BIOMATERIALS SCIENCE, 2019, 卷号: 7, 期号: 3, 页码: 1011-1027
作者:  Shi, Xiaoqun;  Wang, Yang;  Sun, Haiyan;  Chen, Yujuan;  Zhang, Xingzhen
收藏  |  浏览/下载:11/0  |  提交时间:2019/12/11
Influence of surfactant for improving dewatering of brown coal: A comparative experimental and MD simulation study 期刊论文
SEPARATION AND PURIFICATION TECHNOLOGY, 2019, 卷号: 210, 页码: 473-478
作者:  You, Xiaofang;  He, Meng;  Zhu, Xianchang;  Wei, Hengbin;  Cao, Xiaoqiang
收藏  |  浏览/下载:11/0  |  提交时间:2019/12/11
Mechanical properties of molybdenum diselenide revealed by molecular dynamics simulation and support vector machine 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 18, 页码: 9159-9167
作者:  Wang, Xinyu;  Hong, Yang;  Wang, Man;  Xin, Gongming;  Yue, Yanan
收藏  |  浏览/下载:8/0  |  提交时间:2019/12/11
Molecular dynamics simulation and experimental research on fabrication of micro spherical electrode combined by electrochemical etching with spark discharge 期刊论文
INTERNATIONAL JOURNAL OF ADVANCED MANUFACTURING TECHNOLOGY, 2019, 卷号: 103, 期号: 9-12, 页码: 4721-4729
作者:  Li Songsong;  Peng Chuanxiao;  Liu Yong;  Wang Kan;  Kong Huanghai
收藏  |  浏览/下载:7/0  |  提交时间:2019/12/11
Thermal transport in C3N nanotube: a comparative study with carbon nanotube 期刊论文
NANOTECHNOLOGY, 2019, 卷号: 30, 期号: 25
作者:  Cheng, Xu;  Wang, Xinyu
收藏  |  浏览/下载:7/0  |  提交时间:2019/12/11
Molecular dynamics simulation of beta-adrenoceptors and their coupled G proteins 期刊论文
EUROPEAN REVIEW FOR MEDICAL AND PHARMACOLOGICAL SCIENCES, 2019, 卷号: 23, 期号: 14, 页码: 6346-6351
作者:  Li, Z-Y;  Su, C-Y;  Ding, B.
收藏  |  浏览/下载:7/0  |  提交时间:2019/12/11
Effect of Layer Charge Characteristics on the Distribution Characteristics of H2O and Ca2+ in Ca-Montmorillonites Interlayer Space: Molecular Dynamics Simulation 期刊论文
MATERIALS, 2019, 卷号: 12, 期号: 14
作者:  Qiu, Jun;  Li, Guoqing;  Liu, Dongliang;  Jiang, Shan;  Wang, Guifang
收藏  |  浏览/下载:35/0  |  提交时间:2019/12/11
Adsorption behavior of drugs on hydroxyapatite with different morphologies: A combined experimental and molecular dynamics simulation study 期刊论文
CERAMICS INTERNATIONAL, 2019, 卷号: 45, 期号: 15, 页码: 19522-19527
作者:  Zhao, Qing;  Zhang, Dongqing;  Sun, Ruixue;  Shang, Shengcong;  Wang, Huachun
收藏  |  浏览/下载:8/0  |  提交时间:2019/12/11
ReaxFF-based molecular dynamics simulation of DNA molecules destruction in cancer cells by plasma ROS 期刊论文
PHYSICS OF PLASMAS, 2019, 卷号: 26, 期号: 8
作者:  Yang, Shuhui;  Zhao, Tong;  Zou, Liang;  Wang, Xiaolong;  Zhang, Yuantao
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/11


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