| Selectively nitrogen-doped carbon materials as superior metal-free catalysts for oxygen reduction |
Lv Qing, Si Wenyan, He Jianjiang, 孙磊, Zhang Chunfang, Wang Ning, Yang Ze, Li Xiaodong, Wang Xin, 邓伟侨, Long Yunze, Huang Changshui,Li Yuliang |
邓伟侨 |
Nature Communications |
2018 |
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3376 |
| Higher Accuracy Achieved in the Simulations of Protein Structure Refinement, Protein Folding and Intrinsically Disordered Proteins Using Polarizable Force Fields. |
王安徽, Zhang Zhichao, 李国辉 |
李国辉 |
Journal of Physical Chemistry Letters |
2018 |
9 |
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7110 |
| Intramembrane ionic protein |
Jun GuoID, Youhua Zhang, Hua Li, 楚慧郢, Qinshu Wang, Shutan Jiang,李焱, Hongbin Shen, 李国辉, Jianfeng Chen, Chenqi Xu |
李国辉, Jianfeng Chen, Chenqi Xu |
PLOS BIOLOGY |
2018 |
16 |
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e2006525-1 |
| Polarizable atomic multipole-based force field for DOPC and POPE membrane lipids |
楚慧郢,彭向达,李焱,张跃斌，Hanyi Min，李国辉 |
Hanyi Min，李国辉 |
MOLECULAR PHYSICS |
2018 |
|
|
1436201-1 |
| Structural insight into precursor tRNA processing by yeast ribonuclease P |
Lan Pengfei， Tan Ming， 张跃斌， Niu Shuangshuang， Chen Juan， Shi Shaohua， Qiu Shuwan， Wang Xuejuan， 彭向达， Cai Gang， Cheng Hong， Wu Jian， 李国辉， Lei Ming |
Wu Jian， 李国辉， Lei Ming |
SCIENCE |
2018 |
362 |
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aat6678-1 |
| Integrating Multiple Accelerated Molecular Dynamics To Improve Accuracy of Free Energy Calculations |
彭向达，张跃斌，李焱，刘庆龙，楚慧郢，张鼎林 |
李国辉 |
Journal of Chemical Theory and Computation |
2018 |
14 |
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1216 |
| Integrin alpha 4 beta 7 switches its ligand specificity via distinct conformer-specific activation |
Integrin alpha 4 beta 7 switches its ligand specificity via distinct conformer-specific activation |
李国辉, X. Frank Zhang,JianFeng Chen |
JOURNAL OF CELL BIOLOGY |
2018 |
217 |
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201710022―1 |
| Macrophage-Associated PGK1 Phosphorylation Promotes Aerobic Glycolysis and Tumorigenesis |
Yajuan Zhang, Guanzhen Yu,楚慧郢,Xiongjun Wang,Lingling Xiong,Guoqing Cai,Ruilong Liu,Hong Gao,Bangbao Tao,Wenfeng Li,李国辉,Ji Liang, Weiwei Yang |
李国辉, Weiwei Yang |
MOLECULAR CELL |
2018 |
71 |
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201 |
| Single glucose molecule transport process revealed by force tracing and molecular dynamics simulations |
Pan YG, 张跃斌, Gongpan PC, Zhang QR, Huang ST, Wang B, Xu BQ, Shan YP, Xiong WY, 李国辉, Wang HD |
Xiong WY, 李国辉, Wang HD |
NANOSCALE HORIZONS |
2018 |
3 |
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517 |
| Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer |
Xiaoqian Xue, Yan Zhang, Chao Wang, Maofeng Zhang, Qiuping Xiang,Junjian Wang, Anhui Wang, Chenchang Li, Cheng Zhang, Lingjiao Zou,Rui Wang,Shuang Wu,Yongzhi Lu，Hongwu Chen,Ke Ding,李国辉 |
Yong Xu |
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY |
2018 |
152 |
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542 |
| Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer |
Qiuping Xiang, Yan Zhang, Jiaguo Li, Xiaoqian Xue, Chao Wang, Ming Song, Cheng Zhang, Rui Wang, Chenchang Li, Chun Wu, Yulai Zhou, Xiaohong Yang, 李国辉, Ke Ding , Yong Xu |
Yong Xu |
ACS Medicinal Chemistry Letters |
2018 |
9 |
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262 |
| Cholesterol modulating the orientation of His17 in hepatitis C virus p7 (5a) viroporin - A molecular dynamic simulation study |
张跃斌，彭向达，Ren Hong,楚慧郢，李焱，李国辉 |
李国辉 |
CHINESE CHEMICAL LETTERS |
2018 |
29 |
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719 |
| A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids |
楚慧郢，彭向达，李焱，张跃斌，李国辉 |
李国辉 |
MOLECULES |
2018 |
23 |
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23010077-1 |
| Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates |
赵海林, Xixi Hu, Daiqian Xie, 孙志刚 |
Xixi Hu, 孙志刚 |
JOURNAL OF CHEMICAL PHYSICS |
2018 |
149 |
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174103-1 |
| Methyl substitution effect in pyrolysis of coal-based model compound isomers |
李刚，李璐，Lijun Jin， Zichao Tang，樊红军, Haoquan Hu |
Zichao Tang，樊红军, Haoquan Hu |
FUEL PROCESSING TECHNOLOGY |
2018 |
178 |
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371 |
| Photoelectron Velocity Map Imaging Spectroscopy of Heteronuclear Metal-Nickel Carbonyls MNi(CO)(n)(-) (M = Sc, Y; n=2-6) |
谢华，邹静涵，袁勤勤，张菊梅，樊红军，江凌 |
江凌 |
TOPICS IN CATALYSIS |
2018 |
61 |
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71 |
| Accurate integral cross sections for the H + CO2 -> OH plus CO reaction |
孙鹏，Jun Chen，刘舒，张东辉 |
刘舒，张东辉 |
CHEMICAL PHYSICS LETTERS |
2018 |
706 |
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675 |
| A neural network potential energy surface for the F + CH4 reaction including multiple channels based on coupled cluster theory |
陈俊，徐昕，刘舒，张东辉 |
陈俊，张东辉 |
PHYSICAL CHEMISTRY CHEMICAL PHYSICS |
2018 |
20 |
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9090 |
| Anion photoelectron spectroscopy and chemical bonding of and ThO2- and ThO3- |
Li Yanli,邹静涵,Xiong Xiaogen,谢华,Tang Zichao,Ge Min,Zhao Yafan,Liu Hongtao |
Xiong Xiaogen,Tang Zichao,Liu Hongtao |
JOURNAL OF CHEMICAL PHYSICS |
2018 |
148 |
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244304-1 |
| Elementary Surface Photocatalytic Reactions |
郭庆，周传耀，马志博，任泽峰，樊红军，杨学明 |
杨学明 |
Annual Review of Physical Chemistry |
2018 |
69 |
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451 |
