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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
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
Effect of Layer Charge Density on Hydration Properties of Montmorillonite: Molecular Dynamics Simulation and Experimental Study 期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2019, 卷号: 20, 期号: 16
作者:  Qiu, Jun;  Li, Guoqing;  Liu, Dongliang;  Jiang, Shan;  Wang, Guifang
收藏  |  浏览/下载：34/0  |  提交时间：2019/12/11
Resistance mechanism of the oncogenic beta 3-alpha C deletion mutation in BRAF kinase to dabrafenib and vemurafenib revealed by molecular dynamics simulations and binding free energy calculations 期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2019, 卷号: 93, 期号: 2, 页码: 177-187
作者:  Niu, Yuzhen;  Zhang, Yan;  Yao, Xiaojun
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11
Control of wettability transition and coalescence dynamics of droplets on the surface via mechanical vibration: A molecular simulation exploration 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 473, 页码: 393-400
作者:  Li, Tao;  Li, Jie;  Lin, Honghui;  Duan, Yunrui;  Xia, Yujie
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11
The medium-range orders transition in liquid Fe-Al alloys 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2019, 卷号: 161, 页码: 199-208
作者:  Li, Xinxin;  Wang, Jin;  Qin, Jingyu;  Pan, Shaopeng;  Dong, Bangshao
收藏  |  浏览/下载：8/0  |  提交时间：2019/12/11
Dynamic and structural heterogeneity in undercooled miscible and immiscible metallic liquid 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 卷号: 786, 页码: 627-635
作者:  Cheng, Y.;  Wang, Y. Y.;  Peng, C. X.;  Zhang, Z. T.;  Wang, P. F.
收藏  |  浏览/下载：4/0  |  提交时间：2019/12/11

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