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CORC

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Combining experimental analyses and molecular dynamics simulations in impurity removal at the Si/slag interface 期刊论文
METALLURGICAL RESEARCH & TECHNOLOGY, 2023, 卷号: 120, 期号: 4, 页码: 11
作者:  Liu, Yubao;  Guo, Yibo;  Li, Yaqiong;  Liu, Yao;  Fu, Jie
收藏  |  浏览/下载：1/0  |  提交时间：2023/12/13
Dynamic trends for char/soot formation during secondary reactions of coal pyrolysis by large-scale reactive molecular dynamics 期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2021, 卷号: 155, 页码: 11
作者:  Zheng, Mo;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载：18/0  |  提交时间：2021/08/31
Crystallography-guided discovery of carbazole-based retinoic acid-related orphan receptor gamma-t (ROR gamma t) modulators: insights into different protein behaviors with "short" and "long" inverse agonists 期刊论文
ACTA PHARMACOLOGICA SINICA, 2020, 页码: 11
作者:  Yu, Ming-cheng;  Yang, Feng;  Ding, Xiao-yu;  Sun, Nan-nan;  Jiang, Zheng-yuan
收藏  |  浏览/下载：85/0  |  提交时间：2020/12/24
Capturing the dynamic profiles of products in Hailaer brown coal pyrolysis with reactive molecular simulations and experiments 期刊论文
FUEL, 2020, 卷号: 268, 页码: 12
作者:  Zheng, Mo;  Pan, Yang;  Wang, Ze;  Li, Xiaoxia;  Guo, Li
收藏  |  浏览/下载：4/0  |  提交时间：2020/05/21
Molecular dynamics simulation revealed the intrinsic conformational change of cellular inhibitor of apoptosis protein-1 期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2020, 卷号: 38, 期号: 4, 页码: 975-984
作者:  Xu, Heng;  Tang, Zhengkuan;  Zuo, Yu;  Xiong, Fengmin;  Chen, Kaixian
收藏  |  浏览/下载：40/0  |  提交时间：2020/07/01
Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations 期刊论文
ACS CHEMICAL NEUROSCIENCE, 2020, 卷号: 11, 期号: 4, 页码: 628-637
作者:  An, Xiaoli;  Bai, Qifeng;  Bing, Zhitong;  Liu, Hongli;  Zhang, Qianqian
收藏  |  浏览/下载：21/0  |  提交时间：2022/01/18
Dynamic profiles of tar products during Naomaohu coal pyrolysis revealed by large-scale reactive molecular dynamic simulation 期刊论文
FUEL, 2019, 卷号: 253, 页码: 910-920
作者:  Zheng, Mo;  Li, Xiaoxia;  Wang, Meijun;  Guo, Li
收藏  |  浏览/下载：57/0  |  提交时间：2019/09/03
Unusual photorheological properties of TiO2 nanoparticle suspensions under UV light irradiation 期刊论文
JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2019, 卷号: 52, 页码: 275301
作者:  Jin, JY;  Wang, X;  Hu, SW;  Geng, JF;  Jing, DW
收藏  |  浏览/下载：3/0  |  提交时间：2019/11/19
Molecular dynamics simulation and experimental verification for bonding formation of solid-state TiO2 nano-particles induced by high velocity collision 期刊论文
Ceramics International, 2019, 卷号: 45, 页码: 4700-4706
作者:  Yao, Hai-Long;  Yang, Guan-Jun;  Li, Chang-Jiu
收藏  |  浏览/下载：36/0  |  提交时间：2019/11/19
Thermodynamic mechanism of selective cocrystallization explored by MD simulation and phase diagram analysis 期刊论文
AIChE Journal, 2019, 卷号: Vol.65 No.5
作者:  Wang, N.a;  Huang, X.a,b;  Gong, H.b,c;  Zhou, Y.a,b;  Li, X.a
收藏  |  浏览/下载：6/0  |  提交时间：2019/11/26

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