Yechun Xu: шукати на сайті Z-Library

Рік:

2012

Мова:

english

Файл:

PDF, 5.50 MB

english, 2012

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,

Журнал:

ACS Chemical Neuroscience

Рік:

2015

Мова:

english

Файл:

PDF, 972 KB

english, 2015

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

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

Журнал:

Рік:

2018

Мова:

english

Файл:

PDF, 1.07 MB

english, 2018

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

Журнал:

Journal of Chemical Information and Modeling

Рік:

2019

Мова:

english

Файл:

PDF, 2.68 MB

english, 2019

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

Журнал:

Рік:

2020

Файл:

PDF, 3.62 MB

2020

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

Журнал:

Protein Science

Рік:

2011

Мова:

english

Файл:

PDF, 255 KB

english, 2011

Steered molecular dynamics simulations of protein-ligand interactions

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

Журнал:

Science China Chemistry

Рік:

2004

Мова:

english

Файл:

PDF, 817 KB

english, 2004

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

Журнал:

Analytical and Bioanalytical Chemistry

Рік:

2010

Мова:

english

Файл:

PDF, 484 KB

english, 2010

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

Журнал:

ACS Applied Materials & Interfaces

Рік:

2010

Мова:

english

Файл:

PDF, 5.52 MB

english, 2010

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

Журнал:

Protein Science

Рік:

2008

Мова:

english

Файл:

PDF, 289 KB

english, 2008

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

Журнал:

Biochemistry

Рік:

2006

Мова:

english

Файл:

PDF, 369 KB

english, 2006

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

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

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 1.93 MB

english, 2012

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

Журнал:

Protein Science

Рік:

2012

Мова:

english

Файл:

PDF, 1.07 MB

english, 2012

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

Журнал:

Developmental & Comparative Immunology

Рік:

2012

Мова:

english

Файл:

PDF, 1.79 MB

english, 2012

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

Журнал:

Journal of Molecular Biology

Рік:

2005

Мова:

english

Файл:

PDF, 971 KB

english, 2005

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,

Журнал:

Chemico-Biological Interactions

Рік:

2013

Мова:

english

Файл:

PDF, 707 KB

english, 2013

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

Журнал:

Рік:

2003

Мова:

english

Файл:

PDF, 375 KB

english, 2003

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

Журнал:

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

Рік:

2003

Мова:

english

Файл:

PDF, 761 KB

english, 2003

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

Журнал:

Рік:

2010

Мова:

english

Файл:

PDF, 1.00 MB

english, 2010

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

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

Журнал:

Рік:

2007

Мова:

english

Файл:

PDF, 1.09 MB

english, 2007

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.

Журнал:

Рік:

2008

Мова:

english

Файл:

PDF, 1.39 MB

english, 2008

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

Журнал:

Рік:

2013

Мова:

english

Файл:

PDF, 1.13 MB

english, 2013

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

Журнал:

Рік:

2005

Мова:

english

Файл:

PDF, 805 KB

english, 2005

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

Журнал:

Bioorganic & Medicinal Chemistry Letters

Рік:

2005

Мова:

english

Файл:

PDF, 112 KB

english, 2005

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

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 1.24 MB

english, 2012

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

Журнал:

Рік:

2013

Мова:

english

Файл:

PDF, 2.01 MB

english, 2013

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

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

Журнал:

Рік:

2008

Мова:

english

Файл:

PDF, 721 KB

english, 2008

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

Журнал:

Bioorganic & Medicinal Chemistry Letters

Рік:

2005

Мова:

english

Файл:

PDF, 663 KB

english, 2005

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

Журнал:

Рік:

2013

Мова:

english

Файл:

PDF, 2.11 MB

english, 2013

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

Журнал:

European Journal of Medicinal Chemistry

Рік:

2013

Мова:

english

Файл:

PDF, 1.74 MB

english, 2013

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

Журнал:

Bioorganic & Medicinal Chemistry Letters

Рік:

2012

Мова:

english

Файл:

PDF, 2.32 MB

english, 2012

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

Журнал:

Molecules

Рік:

2013

Мова:

english

Файл:

PDF, 1.22 MB

english, 2013

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

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 2.38 MB

english, 2014

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

Журнал:

ACS Medicinal Chemistry Letters

Рік:

2014

Мова:

english

Файл:

PDF, 1.09 MB

english, 2014

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

Журнал:

Tetrahedron

Рік:

2014

Мова:

english

Файл:

PDF, 3.16 MB

english, 2014

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

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 2.10 MB

english, 2014

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

Журнал:

European Journal of Medicinal Chemistry

Рік:

2006

Мова:

english

Файл:

PDF, 1.02 MB

english, 2006

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

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 1.86 MB

english, 2014

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

Журнал:

European Journal of Medicinal Chemistry

Рік:

2005

Мова:

english

Файл:

PDF, 686 KB

english, 2005

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

Журнал:

Quaternary International

Рік:

2014

Мова:

english

Файл:

PDF, 3.62 MB

english, 2014

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

Журнал:

Рік:

2015

Мова:

english

Файл:

PDF, 1.23 MB

english, 2015

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

Журнал:

Molecular Simulation

Рік:

2012

Мова:

english

Файл:

PDF, 278 KB

english, 2012

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

Журнал: