Niu Huang - Dissemin

Papers authored by Niu Huang

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2013 Xiaobo Wan, Yue, Yue Ma, Christopher L. McClendon, Lily Jun-Shen Huang, Niu Huang

Ab Initio Modeling and Experimental Assessment of Janus Kinase 2 (JAK2) Kinase-Pseudokinase Complex Structure

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Xiaobo Wan, Wei Zhang, Li Li, Yuting Xie, Wei Li, Niu Huang

A New Target for an Old Drug: Identifying Mitoxantrone as a Nanomolar Inhibitor of PIM1 Kinase via Kinome-Wide Selectivity Modeling

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Yao Wu, Xiaodong Dai, Niu Huang

, Lifeng Zhao

A partition function-based weighting scheme in force field parameter development usingab initiocalculation results in global configurational space

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Yanli Wang, Minyu Liu, Ran Cao, Wanbin Zhang, Ming Yin, Xuhua Xiao, Quanhai Liu, Niu Huang

A Soluble Bis-Chelated Gold(I) Diphosphine Compound with Strong Anticancer Activity and Low Toxicity

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2012 Qing Yao, Jixin Cui, Jiayi Wang, Ting Li, Xiaobo Wan, Tianming Luo, Yi-Nan Gong, Ying Xu, Niu Huang

, Feng Shao

Structural mechanism of ubiquitin and NEDD8 deamidation catalyzed by bacterial effectors that induce macrophage-specific apoptosis

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Ran Cao, Minyu Liu, Min Yin, Quanhai Liu, Yanli Wang, Niu Huang

Discovery of Novel Tubulin Inhibitors via Structure-Based Hierarchical Virtual Screening

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Xingyu Lin, Xi-Ping Huang

, Gang Chen, Ryan Whaley, Shiming Peng, Yanli Wang, Guoliang Zhang, Simon X. Wang, Shaohui Wang, Bryan L. Roth, Niu Huang

Life Beyond Kinases: Structure-based Discovery of Sorafenib as Nanomolar Antagonist of 5-HT Receptors

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Shiming Peng, Xingyu Lin, Zongru Guo, Niu Huang

Identifying Multiple-target Ligands via Computational Chemogenomics Approaches

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Pan Chen, Zilin Song, Yonghe Qi, Xiaofeng Feng, Naiqing Xu, Yinyan Sun, Xing Wu, Xin Yao, Qunyin Mao, Xiuling Li, Wenjuan Dong, Xiaobo Wan, Niu Huang

, Xinliang Shen, Zhenglun Liang and 1 other authors

Molecular Determinants of Enterovirus 71 Viral Entry

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2011 Andrew J. Christofferson, Niu Huang

How to Benchmark Methods for Structure-Based Virtual Screening of Large Compound Libraries

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Andrew Christofferson, Lifeng Zhao, Hanzi Sun, Zhen Huang, Niu Huang

Theoretical Studies of the Base Pair Fidelity of Selenium-Modified DNA

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Qiang Pei, Andrew Christofferson, Hui Zhang, Jijie Chai, Niu Huang

Computational investigation of the enzymatic mechanisms of phosphothreonine lyase

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2010 Niu Huang

, Matthew P. Jacobson

Binding-Site Assessment by Virtual Fragment Screening

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2009 John J. Irwin, Brian K. Shoichet, Michael M. Mysinger, Niu Huang

, Francesco Colizzi, Pascal Wassam, Yiqun Cao

Automated Docking Screens: A Feasibility Study

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Chaya S. Rapp, Cheryl Schonbrun, Matthew P. Jacobson, Chakrapani Kalyanaraman, Niu Huang

Automated Site Preparation in Physics-Based Rescoring of Receptor Ligand Complexes

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Qing Yao, Jixin Cui, Yongqun Zhu, Guolun Wang, Liyan Hu, Chengzu Long, Ran Cao, Xinqi Liu, Niu Huang

, She Chen, Liping Liu, Feng Shao

A bacterial type III effector family uses the papain-like hydrolytic activity to arrest the host cell cycle

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2008 Zhiwei Huang, Yingcai Feng, Ding Chen, Xiaojing Wu, Siyang Huang, Xiaojun Wang, Xingguo Xiao, Wenhui Li, Niu Huang

, Lichuan Gu, Guangming Zhong, Jijie Chai

Structural Basis for Activation and Inhibition of the Secreted Chlamydia Protease CPAF

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Niu Huang

, Brian K. Shoichet

Exploiting Ordered Waters in Molecular Docking

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2007 Linjie Chen, Huayi Wang, Jie Zhang, Lichuan Gu, Niu Huang

, Jian-Min Zhou, Jijie Chai

Structural basis for the catalytic mechanism of phosphothreonine lyase

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Q. Ji, Y. Zhou, H. Peng, N. Huang

, J. Qi, Xiong Ds, Gao Yd, M. Yang, Yang Cz

[Design and activity determination of small molecular inhibitors of integrin alphavbeta3].

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Papers authored by Niu Huang