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1

Differential Frequency Reconfigurable Antenna Based on Dipoles for Sub-6GHz 5G and WLAN Applications

Jin, Guiping, Deng, Chuhong, Xu, Yechun, Yang, Ju, Liao, Shaowei

Journal:

IEEE Antennas and Wireless Propagation Letters

Year:

2020

Language:

english

File:

PDF, 1.36 MB

english, 2020

2

Velocity field characteristics of the turbulent jet induced by direct contact condensation of steam jet in crossflow of water in a vertical pipe

Xu, Qiang, Guo, Liejin, Chang, Liang, Wang, Yechun

Journal:

International Journal of Heat and Mass Transfer

Year:

2016

Language:

english

File:

PDF, 7.92 MB

english, 2016

3

Dual-polarised high-gain triple-band differential antenna for WLAN and Sub-6âGHz 5G applications

Jin, Guiping, Zeng, Guangjie, Yang, Ju, Xu, Yechun, Liao, Shaowei

Journal:

IET Microwaves Antennas & Propagation

Year:

2020

Language:

english

File:

PDF, 1.45 MB

english, 2020

4

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Jin, Zhenming, Du, Xiaoyu, Xu, Yechun, Deng, Yongqiang, Liu, Meiqin, Zhao, Yao, Zhang, Bing, Li, Xiaofeng, Zhang, Leike, Peng, Chao, Duan, Yinkai, Yu, Jing, Wang, Lin, Yang, Kailin, Liu, Fengjiang, Ji

Journal:

Year:

2020

File:

PDF, 5.64 MB

2020

5

Combination of magnesium ions and vitamin C alleviates synovitis and osteophyte formation in osteoarthritis of mice

Yao, Hao, Xu, Jiankun, Wang, Jiali, Zhang, Yifeng, Zheng, Nianye, Yue, Jiang, Mi, Jie, Zheng, Lizhen, Dai, Bingyang, Huang, Wenhan, Yung, Shuhang, Hu, Peijie, Ruan, Yechun, Xue, Qingyun, Ho, Kiwai, Qi

Journal:

Bioactive Materials

Year:

2021

File:

PDF, 318 KB

2021

6

Conformational Transition and Energy Landscape of ErbB4 Activated by Neuregulin1β: One Microsecond Molecular Dynamics Simulations

Du, Yun, Yang, Huaiyu, Xu, Yechun, Cang, Xiaohui, Luo, Cheng, Mao, Yanyan, Wang, Yuanyuan, Qin, Guangrong, Luo, Xiaomin, Jiang, Hualiang

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 5.50 MB

english, 2012

7

Fragment-Based Drug Discovery of 2-Thiazolidinones as BRD4 Inhibitors: 2. Structure-Based Optimization

Zhao, Lele, Wang, Yingqing, Cao, Danyan, Chen, Tiantian, Wang, Qi, Li, Yanlian, Xu, Yechun, Zhang, Naixia, Wang, Xin, Chen, Danqi, Chen, Lin, Chen, Yue-Lei, Xia, Guangxin, Shi, Zhe, Liu, Yu-Chih, Lin,

Journal:

Journal of Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 972 KB

english, 2015

8

A Structure-based Survey of the Binding Modes of BACE1 Inhibitors.

Hu, Hangchen, Chen, Zhaoqiang, Xu, Xiang, Xu, Yechun

Journal:

ACS Chemical Neuroscience

Year:

2018

Language:

english

File:

PDF, 1.07 MB

english, 2018

9

Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Anti-Psoriasis Agent

Zhang, Xianglei, Dong, Guangyu, Li, Heng, Chen, Wuyan, Li, Jian, Feng, Chunlan, Gu, Zhanni, Zhu, Fenghua, Zhang, Rui, Li, Minjun, Tang, Wei, Liu, Hong, Xu, Yechun

Journal:

Journal of Medicinal Chemistry

Year:

2019

Language:

english

File:

PDF, 2.68 MB

english, 2019

10

In Silico Screening-based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-validation Study of Molecular Docking and Experimental Testing

Zhao, Wenfeng, Xiong, Muya, Yuan, Xiaojing, Li, Minjun, Sun, Hongbin, Xu, Yechun

Journal:

Journal of Chemical Information and Modeling

Year:

2020

File:

PDF, 3.62 MB

2020

11

Backdoor opening mechanism in acetylcholinesterase based on X-ray crystallography and molecular dynamics simulations

Benoît Sanson, Jacques-Philippe Colletier, Yechun Xu, P. Therese Lang, Hualiang Jiang, Israel Silman, Joel L. Sussman, Martin Weik

Journal:

Protein Science

Year:

2011

Language:

english

File:

PDF, 255 KB

english, 2011

12

Steered molecular dynamics simulations of protein-ligand interactions

Yechun Xu, Jianhua Shen, Xiaomin Luo, Xu Shen, Kaixian Chen, Hualiang Jiang

Journal:

Science China Chemistry

Year:

2004

Language:

english

File:

PDF, 817 KB

english, 2004

13

An enzyme-linked immunosorbent assay to compare the affinity of chemical compounds for β-amyloid peptide as a monomer

Chunyi Jiang, Yu Feng, Xiaotong Huang, Yechun Xu, Yaping Zhang, Naiming Zhou, Xu Shen, Kaixian Chen, Hualiang Jiang, Dongxiang Liu

Journal:

Analytical and Bioanalytical Chemistry

Year:

2010

Language:

english

File:

PDF, 484 KB

english, 2010

14

Effects of Na+, K+, and Ca2+ on the Structures of Anionic Lipid Bilayers and Biological Implication

Yang, Huaiyu, Xu, Yechun, Gao, Zhaobing, Mao, Yanyan, Du, Yun, Jiang, Hualiang

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 5.52 MB

english, 2010

15

Induced-fit or preexisting equilibrium dynamics? Lessons from protein crystallography and MD simulations on acetylcholinesterase and implications for structure-based drug design

Yechun Xu, Jacques Ph. Colletier, Hualiang Jiang, Israel Silman, Joel L. Sussman, Martin Weik

Journal:

Protein Science

Year:

2008

Language:

english

File:

PDF, 289 KB

english, 2008

16

Inhibitor Discovery Targeting the Intermediate Structure of β-Amyloid Peptide on the Conformational Transition Pathway: Implications in the Aggregation Mechanism of β-Amyloid Peptide†

Liu, Dongxiang, Xu, Yechun, Feng, Yu, Liu, Hong, Shen, Xu, Chen, Kaixian, Ma, Jianpeng, Jiang, Hualiang

Journal:

Year:

2006

Language:

english

File:

PDF, 369 KB

english, 2006

17

Preparation and Properties of Electrospun Soy Protein Isolate/Polyethylene Oxide Nanofiber Membranes

Xu, Xuezhu, Jiang, Long, Zhou, Zhengping, Wu, Xiangfa, Wang, Yechun

Journal:

ACS Applied Materials & Interfaces

Year:

2012

Language:

english

File:

PDF, 1.93 MB

english, 2012

18

Structural and functional characterization of the interaction of the photosensitizing probe methylene blue with Torpedo californica acetylcholinesterase

Aviv Paz, Esther Roth, Yacov Ashani, Yechun Xu, Valery L. Shnyrov, Joel L. Sussman, Israel Silman, Lev Weiner

Journal:

Protein Science

Year:

2012

Language:

english

File:

PDF, 1.07 MB

english, 2012

19

Drosophila melanogaster prophenoloxidases respond inconsistently to Cu2+ and have different activity in vitro

Fei Liu, Yang Chen, Bing Yang, Jingfang Wang, Qin Peng, Qimiao Shao, Xuan Li, Brenda T. Beerntsen, Yechun Xu, Jianyong Li, Xiao-Qiang Yu, Erjun Ling

Journal:

Developmental & Comparative Immunology

Year:

2012

Language:

english

File:

PDF, 1.79 MB

english, 2012

20

pH-dependent Conformational Flexibility of the SARS-CoV Main Proteinase (Mpro) Dimer: Molecular Dynamics Simulations and Multiple X-ray Structure Analyses

Jinzhi Tan, Koen H.G. Verschueren, Kanchan Anand, Jianhua Shen, Maojun Yang, Yechun Xu, Zihe Rao, Janna Bigalke, Burkhard Heisen, Jeroen R. Mesters, Kaixian Chen, Xu Shen, Hualiang Jiang, Rolf Hilgenf

Journal:

Journal of Molecular Biology

Year:

2005

Language:

english

File:

PDF, 971 KB

english, 2005

21

The specific interaction of the photosensitizer methylene blue with acetylcholinesterase provides a model system for studying the molecular consequences of photodynamic therapy

Silman, Israel, Roth, Esther, Paz, Aviv, Triquigneaux, Mathilde M., Ehrenshaft, Marilyn, Xu, Yechun, Shnyrov, Valery L., Sussman, Joel L., Deterding, Leesa J., Ashani, Yacov, Mason, Ronald P., Weiner,

Journal:

Chemico-Biological Interactions

Year:

2013

Language:

english

File:

PDF, 707 KB

english, 2013

22

How Does Huperzine A Enter and Leave the Binding Gorge of Acetylcholinesterase? Steered Molecular Dynamics Simulations

Xu, Yechun, Shen, Jianhua, Luo, Xiaomin, Silman, Israel, Sussman, Joel L., Chen, Kaixian, Jiang, Hualiang

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 375 KB

english, 2003

23

Steered Molecular Dynamics Simulation on the Binding of NNRTI to HIV-1 RT

Shen, Lingling, Shen, Jianhua, Luo, Xiaomin, Cheng, Feng, Xu, Yechun, Chen, Kaixian, Arnold, Edward, Ding, Jianping, Jiang, Hualiang

Journal:

Biophysical Journal

Year:

2003

Language:

english

File:

PDF, 761 KB

english, 2003

24

Long Route or Shortcut? A Molecular Dynamics Study of Traffic of Thiocholine within the Active-Site Gorge of Acetylcholinesterase

Xu, Yechun, Colletier, Jacques-Philippe, Weik, Martin, Qin, Guangrong, Jiang, Hualiang, Silman, Israel, Sussman, Joel L.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 1.00 MB

english, 2010

25

Detailed Mechanism for AmtB Conducting NH4+/NH3: Molecular Dynamics Simulations

Yang, Huaiyu, Xu, Yechun, Zhu, Weiliang, Chen, Kaixian, Jiang, Hualiang

Journal:

Biophysical Journal

Year:

2007

Language:

english

File:

PDF, 1.09 MB

english, 2007

26

Flexibility of Aromatic Residues in the Active-Site Gorge of Acetylcholinesterase: X-ray versus Molecular Dynamics

Xu, Yechun, Colletier, Jacques-Philippe, Weik, Martin, Jiang, Hualiang, Moult, John, Silman, Israel, Sussman, Joel L.

Journal:

Biophysical Journal

Year:

2008

Language:

english

File:

PDF, 1.39 MB

english, 2008

27

Design, Synthesis, and Biological Evaluation of a Series of Benzo[ de ][1,7]naphthyridin-7(8 H )-ones Bearing a Functionalized Longer Chain Appendage as Novel PARP1 Inhibitors

Ye, Na, Chen, Chuan-Huizi, Chen, TianTian, Song, Zilan, He, Jin-Xue, Huan, Xia-Juan, Song, Shan-Shan, Liu, Qiufeng, Chen, Yi, Ding, Jian, Xu, Yechun, Miao, Ze-Hong, Zhang, Ao

Journal:

Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

28

Dynamic Mechanism of E2020 Binding to Acetylcholinesterase: A Steered Molecular Dynamics Simulation

Niu, Chunying, Xu, Yechun, Xu, Yong, Luo, Xiaomin, Duan, Wenhu, Silman, Israel, Sussman, Joel L., Zhu, Weiliang, Chen, Kaixian, Shen, Jianhua, Jiang, Hualiang

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 805 KB

english, 2005

29

Influence of the Water Molecule on Cation−π Interaction: Ab Initio Second Order Møller−Plesset Perturbation Theory (MP2) Calculations

Xu, Yechun, Shen, Jianhua, Zhu, Weiliang, Luo, Xiaomin, Chen, Kaixian, Jiang, Hualiang

Journal:

Journal of Physical Chemistry B

Year:

2005

Language:

english

File:

PDF, 112 KB

english, 2005

30

Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: Synthesis and SAR study as tyrosine kinase c-Met inhibitors

Wu, Kui, Ai, Jing, Liu, Qiufeng, Chen, TianTian, Zhao, Ailing, Peng, Xia, Wang, Yuanxiang, Ji, Yinchun, Yao, Qizheng, Xu, Yechun, Geng, Meiyu, Zhang, Ao

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1.24 MB

english, 2012

31

Fragment-Based Drug Discovery of 2-Thiazolidinones as Inhibitors of the Histone Reader BRD4 Bromodomain

Zhao, Lele, Cao, Danyan, Chen, Tiantian, Wang, Yingqing, Miao, Zehong, Xu, Yechun, Chen, Wuyan, Wang, Xin, Li, Yanlian, Du, Zhiyan, Xiong, Bing, Li, Jian, Xu, Chunyan, Zhang, Naixia, He, Jianhua, Shen

Journal:

Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 2.01 MB

english, 2013

32

Unbinding of Nicotine from the Acetylcholine Binding Protein: Steered Molecular Dynamics Simulations

Liu, Xinli, Xu, Yechun, Wang, Xicheng, Barrantes, Francisco J., Jiang, Hualiang

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 721 KB

english, 2008

33

Conformational Dynamics of the Nicotinic Acetylcholine Receptor Channel: A 35-ns Molecular Dynamics Simulation Study

Xu, Yechun, Barrantes, Francisco J., Luo, Xiaomin, Chen, Kaixian, Shen, Jianhua, Jiang, Hualiang

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 663 KB

english, 2005

34

Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5

Gong, Xudong, Wang, Guan, Ren, Jing, Liu, Zheng, Wang, Zhen, Chen, Tiantian, Yang, Xiaojun, Jiang, Xiangrui, Shen, Jingshan, Jiang, Hualiang, Aisa, Haji Akber, Xu, Yechun, Li, Jianfeng

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 2.11 MB

english, 2013

35

Discovery of pyrazole as C-terminus of selective BACE1 inhibitors

Zou, Yiquan, Xu, Lei, Chen, Wuyan, Zhu, Yiping, Chen, Tiantian, Fu, Yan, Li, Li, Ma, Lanping, Xiong, Bing, Wang, Xin, Li, Jian, He, Jianhua, Zhang, Haiyan, Xu, Yechun, Li, Jia, Shen, Jingkang

Journal:

European Journal of Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 1.74 MB

english, 2013

36

Cyanobacterial Peptides as a Prototype for the Design of Potent β-Secretase Inhibitors and the Development of Selective Chemical Probes for Other Aspartic Proteases

Liu, Yanxia, Zhang, Wei, Li, Li, Salvador, Lilibeth A., Chen, Tiantian, Chen, Wuyan, Felsenstein, Kevin M., Ladd, Thomas B., Price, Ashleigh R., Golde, Todd E., He, Jianhua, Xu, Yechun, Li, Yingxia, L

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 2.32 MB

english, 2012

37

Virtual Screening and Structure-Based Discovery of Indole Acylguanidines as Potent β-secretase (BACE1) Inhibitors

Zou, Yiquan, Li, Li, Chen, Wuyan, Chen, Tiantian, Ma, Lanping, Wang, Xin, Xiong, Bing, Xu, Yechun, Shen, Jingkang

Journal:

Year:

2013

Language:

english

File:

PDF, 1.22 MB

english, 2013

38

Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization

Ren, Jing, Li, Jian, Wang, Yueqin, Chen, Wuyan, Shen, Aijun, Liu, Hongchun, Chen, Danqi, Cao, Danyan, Li, Yanlian, Zhang, Naixia, Xu, Yechun, Geng, Meiyu, He, Jianhua, Xiong, Bing, Shen, Jingkang

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 2.38 MB

english, 2014

39

Thermodynamic and Structural Characterization of Halogen Bonding in Protein–Ligand Interactions: A Case Study of PDE5 and Its Inhibitors

Ren, Jing, He, Yang, Chen, Wuyan, Chen, Tiantian, Wang, Guan, Wang, Zhen, Xu, Zhijian, Luo, Xiaomin, Zhu, Weiliang, Jiang, Hualiang, Shen, Jingshan, Xu, Yechun

Journal:

Journal of Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 1.09 MB

english, 2014

40

Palladium-catalyzed N-arylation of 2-aminobenzothiazole-4-carboxylates/carboxamides: facile synthesis of PARP14 inhibitors

Wang, Pingyuan, Li, Jian, Jiang, Xue, Liu, Zhiqing, Ye, Na, Xu, Youjun, Yang, Guangfu, Xu, Yechun, Zhang, Ao

Journal:

Year:

2014

Language:

english

File:

PDF, 3.16 MB

english, 2014

41

Discovery of Anilinopyrimidines as Dual Inhibitors of c-Met and VEGFR-2: Synthesis, SAR, and Cellular Activity

Zhan, Zhengsheng, Ai, Jing, Liu, Qiufeng, Ji, Yinchun, Chen, Tiantian, Xu, Yechun, Geng, Meiyu, Duan, Wenhu

Journal:

ACS Medicinal Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 2.10 MB

english, 2014

42

Blocking of the Nicotinic Acetylcholine Receptor Ion Channel by Chlorpromazine, a Noncompetitive Inhibitor: A Molecular Dynamics Simulation Study

Xu, Yechun, Barrantes, Francisco J., Shen, Jianhua, Luo, Xiaomin, Zhu, Weiliang, Chen, Kaixian, Jiang, Hualiang

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 1.02 MB

english, 2006

43

Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors

Chen, Danqi, Shen, Aijun, Li, Jian, Shi, Feng, Chen, Wuyan, Ren, Jing, Liu, Hongchun, Xu, Yechun, Wang, Xin, Yang, Xinying, Sun, Yiming, Yang, Min, He, Jianhua, Wang, Yueqin, Zhang, Liping, Huang, Min

Journal:

European Journal of Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 1.86 MB

english, 2014

44

Dynamic Mechanism for the Autophosphorylation of CheA Histidine Kinase: Molecular Dynamics Simulations

Zhang, Jian, Xu, Yechun, Shen, Jianhua, Luo, Xiaomin, Chen, Jiagao, Chen, Kaixian, Zhu, Weiliang, Jiang, Hualiang

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 686 KB

english, 2005

45

Carbon isotopic records of middle Holocene corals and environmental causes in northern South China Sea

Su, Ruixia, Zhuang, Yechun, Sui, Dandan, Xu, Yufen, Sun, Lizhuo, Chen, Hai, Sun, Donghuai, Li, Baofeng, Wang, Fei

Journal:

Quaternary International

Year:

2014

Language:

english

File:

PDF, 3.62 MB

english, 2014

46

Novel fatty acid binding protein 4 (FABP4) inhibitors: Virtual screening, synthesis and crystal structure determination

Cai, Haiyan, Liu, Qiufeng, Gao, Dingding, Wang, Ting, Chen, Tiantian, Yan, Guirui, Chen, Kaixian, Xu, Yechun, Wang, Heyao, Li, Yingxia, Zhu, Weiliang

Journal:

European Journal of Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 1.23 MB

english, 2015

47

Dynamic behaviour of ubiquitin receptor S5a in free and complex with K48-linked diubiquitin

Wang, Mian, Du, Yun, Wang, Jianyi, Luo, Xiaomin, Jiang, Hualiang, Zhang, Naixia, Xu, Yechun

Journal:

Molecular Simulation

Year:

2012

Language:

english

File:

PDF, 278 KB

english, 2012

48

Correction to “Conformational Dynamics of the Nicotinic Acetylcholine Receptor Channel: A 35-ns Molecular Dynamics Simulation Study”

Xu, Yechun, Barrantes, Francisco J., Luo, Xiaomin, Chen, Kaixian, Shen, Jianhua, Jiang, Hualiang

Journal:

Journal of the American Chemical Society

Year:

2015

File:

PDF, 179 KB

2015

49

Design, synthesis and biological evaluation of tasiamide B derivatives as BACE1 inhibitors

Liu, Jian, Chen, Wuyan, Xu, Yechun, Ren, Sumei, Zhang, Wei, Li, Yingxia

Journal:

Bioorganic & Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 2.31 MB

english, 2015

50

Fluorescence and molecular dynamics studies of the acetylcholine receptor γM4 transmembrane peptide in reconstituted systems

Antollini, Silvia S., Xu, Yechun, Jiang, Hualiang, Barrantes, Francisco J.

Journal:

Molecular Membrame Biology

Year:

2005

Language:

english

File:

PDF, 544 KB

english, 2005