4.Yang J, Shen C,Huang N.Predicting or Pretending: Artificial Intelligence for Protein-Ligand Interactions Lack of Sufficiently Large and Unbiased Datasets.Front Pharmacol.2020 Feb 25;11:69.
6.Peng S, Li W, Hou N,Huang N. A Review ofFoxO1-Regulated Metabolic Diseases and Related Drug Discoveries.Cells. 2020 Jan 10;9(1). pii: E184.
8.Jones AX, Cao Y, Tang YL, Wang JH, Ding YH, Tan H, Chen ZL, Fang RQ, Yin J, Chen RC, Zhu X, She Y,Huang N, Shao F, Ye K, Sun RX, He SM, Lei X, Dong MQ.Improving mass spectrometry analysis of protein structures with arginine-selectivechemical cross-linkers.Nat Commun. 2019 Sep 2;10(1):3911.
10.Peng S, Xiao W, Ju D, Sun B, Hou N, Liu Q, Wang Y, Zhao H, Gao C, Zhang S, Cao R, Li P,Huang H, Ma Y, Wang Y, Lai W, Ma Z, Zhang W, Huang S, Wang H, Zhang Z, Zhao L, Cai T, Zhao Y, Wang F, Nie Y, Zhi G,Yang YG*, Zhang EE*,Huang N*.Identification of Entacapone as aChemical Inhibitor of FTO Mediating Metabolic Regulation through FOXO1.Sci. Transl. Med., 2019, 11(488):eaau7116.
12.Sun L, Ma L, Zhang H, Cao Y, Wang C, Hou N,Huang N, von Deneen KM, Zhao C, Shi Y, Pan Y, Wang M, Ji G, Nie Y.FtoDeficiency Reduces Anxiety- and Depression-Like Behaviors in Mice via Alterations in Gut Microbiota.Theranostics. 2019 Jan 24;9(3):721-733.
14.Zhou Y, Wang Y, Li P, Huang XP, Qi X, Du Y*,Huang N*.Exploring Halogen Bonds in 5-Hydroxytryptamine 2B Receptor-Ligand Interactions.ACS Med Chem Lett. 2018 Oct 1;9(10):1019-1024.
16.Ren S, Caforio A, Yang Q, Sun B, Yu F, Zhu X, Wang J, Dou C, Fu Q,Huang N, Sun Q, Nie C, Qi S, Gong X, He J, Wei Y, Driessen AJ, Cheng W. Structural and mechanistic insights into the biosynthesis of CDP-archaeol in membranes.Cell Res. 2017 Nov;27(11):1378-1391.
18.Zhang L, Sun H, Chen Z, Liu Z,Huang N*, Qian F*.Intermolecular Interactions between Coencapsulated Drugs Inhibit Drug Crystallization and Enhance Colloidal Stability of Polymeric Micelles.Mol Pharm. 2017 Oct 2;14(10):3568-3576.
20.Zhu Q, Venzke D, Walimbe AS, Anderson ME, Fu Q, Kinch LN, Wang W, Chen X, Grishin NV,Huang N, Yu L, Dixon JE, Campbell KP, Xiao J.Structure of protein O-mannose kinase reveals a unique active site architecture.Elife. 2016, 5. pii: e22238.
22.Liu JJ, Niu CY, Wu Y, Tan D, Wang Y, Ye MD, Liu Y, Zhao W, Zhou K, Liu QS, Dai J, Yang X, Dong MQ,Huang N, Wang HW.CryoEM structure of yeast cytoplasmic exosome complex.Cell Res. 2016, 26(7):822-37.
24.Yu Zhou, Jing Ma, Xinyu Lin, Xiping Huang, Kaichun Wu* andNiu Huang*. Structure-Based Discovery of Novel and Selective 5-Hydroxytryptamine 2B Receptor Antagonists for the Treatment of Irritable Bowel Syndrome.J. Med. Chem.2016, 59(2):707-20.
26.Hu Z, Wan X, Hao R, Zhang H, Li L, Li L, Xie Q, Wang P, Gao Y, Chen S, Wei M, Luan Z, Zhang A,Huang N, Chen L. Phosphorylation of mutationally introduced tyrosine inthe activation loop of HER2 confers gain-of-function activity.PLoS One. 2015,10(4):e0123623.
28.Yu Zhou andNiu Huang. Binding site druggability assessment in fragment-based drug design.Methods Mol. Biol. 2015, 1289:13-21.
30.Yao Q, Lu Q, Wan X, Song F, Xu Y, Hu M, Zamyatina A, Liu X,Huang N, Zhu P, Shao F. A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family.Elife2014, 3: 03714.
32.Deng M, Lu Z, Zheng J, Wan X, Chen X, Hirayasu K, Sun H, Lam Y, Chen L, Wang Q, Song C,Huang N, Gao GF, Jiang Y, Arase H, Zhang CC. A motif in LILRB2 critical for Angptl2 binding and activation.Blood. 2014, 124:924-35.
34.Hanzi Sun, Lifeng Zhao, Shiming Peng andNiu Huang.Incorporating Replacement Free Energy of Binding-site Waters in Molecular Docking.Proteins. 2014, 82:1765-76.
36.Ran Cao, Wei Li, Hanzi Sun, Yu Zhou andNiu Huang. Computational chemistry in structure-based drug design.Acta Pharmaceutica Sinica. 2013,48:1041-1052.
Improving the accuracy of pose prediction in molecular dockingstructural filtering and conformational clustering.Chinese Chem. Lett. 2013, 24:1001-1004.
39.Xiaobo Wan,Yue Ma, Christopher L. McClendon,Lily Jun-shen Huang* andNiu Huang*.Ab InitioModeling and Experimental Assessment of Janus Kinase 2 (JAK2) Kinase-Pseudokinase Complex Structure.PLoS Comp. Biol.2013,9: e1003022.
41.Yao Wu, Xiaodong Dai,Niu Huang*and Lifeng Zhao*. A partition function-based weighting scheme in force field parameter development using ab initio calculation results in global configurational space.J. Comp. Chem.2013, 34:1271-82.
43.Qing Yao, Jixin Cui, Jiayi Wang, Ting Li, Xiaobo Wan, Tianming Luo, Yi-Nan Gong, Ying Xu,Niu Huangand Feng Shao. Structural mechanism of ubiquitin and NEDD8 deamidation catalyzed by bacterial effectors that induce macrophage-speci44.Ran Cao, Minyu Liu, Min Yin, Quanhai Liu, Yanli Wang andNiu Huang. Discovery of Novel Tubulin Inhibitors via Structure-Based Hierarchical Virtual Screening.J. Chem. Inf. Model.2012,52:2730-40.
46.Xingyu Lin, Xiping Huang, Gang Chen, Ryan Whaley, Shiming Peng, Yanli Wang, Guoliang Zhang, Shaohui Wang, Xiang Wang, Brian Roth andNiu Huang. Life Beyond Kinases: Structure-Based Discovery of Sorafenib as Nanomolar Antagonist of 5-HT Receptors.J. Med. Chem.2012, 55:5749-59. (Selected byF1000 Pharmacology & Drug Discovery,Congreve M: 2012. http://f1000.com/717951322)
48.Andrew Christofferson andNiu Huang.How to Benchmark Methods for Structure-Based Virtual Screening of Large Compound Libraries.Methods in Molecular Biology. 2012. 819:187-95.
50.Andrew Christofferson, Lifeng Zhao, Hanzi Sun, Zhen Huang andNiu Huang. Theoretical Studies of the Base Pair Fidelity of Selenium-modified DNA.J. Phys. Chem B.2011, 115:10041-8.
52.Niu Huang*and Matthew P. Jacobson. Binding-Site Assessment by Virtual Fragment Screening.PLoS ONE.2010, 5: e10109
54.Chaya S. Rapp, Cheryl Schonbrun, Matthew P. Jacobson, Chakrapani Kalyanaraman andNiu Huang. Automated Site Preparation in Rescoring of Receptor Ligand Complexes.Proteins. 2009, 77:52-61
56.Zhiwei Huang, Yingcai Feng, Xiaojing Wu, Xiaojun Wang, Xingguo Xiao, Wenhui Li,Niu Huang, Lichuan Gu, Guangming Zhong and Jijie Chai. Structural and biochemical mechanisms of the catalysis, activation and inhibition of CPAF (Chlamydial Protease/Proteasome-like Activity Factor).Cell Host & Microbe.2008, 4: 529-542
58.Linjie Chen, Huayi Wang, Jie Zhang, Lichuan Gu,Niu Huang, Jian-Min Zhou and Jijie Chai.Structural basis for the catalytic mechanism of phosphothreonine lyase.Nat. Struct. Mol. Biol.2008, 15:101-102
60.Niu Huang, John Irwin and Brian Shoichet. Benchmarking Sets for Molecular Docking.J. Med. Chem.2006, 49:6789-6801.
62.Nilesh K. Banavali,Niu Huangand Alexander D. MacKerell, Jr. Conserved Patterns in Backbone Torsion Changes Allow For Single Base Flipping from Duplex DNA with Minimal Distortion of the Double Helix.J. Phys. Chem. B.2006, 110:10997-11004.
64.Victor M. Anisimov, Guillaume Lamoureux, Igor V. Vorobyov,Niu Huang, Benoit Roux, Alexander D. MacKerell, Jr. Determination of Electrostatic Parameters for a polarizable Force Field Based on the Classical Drude Oscillator.J. Chem. Theory. Comp. 2005, 1: 153-168.
66.J. Med. Chem.2004, 47 (14):3502-351168.Niu Huangand Alexander D. MacKerell, Jr. Atomistic view of Base flipping in DNA.Phil. Trans. Roy. Soc. Lond. SeriesA. 2004, 362: 1-22.
69.Niu Huang,Jing Qi, Ping Xie, Chen Xu, Jianxiang Wang and Chunzheng Yang.Identification of novel inhibitors of BCR-ABL tyrosine kinase via virtual screening.
71.Yongping Pan,Niu Huang, Sam Cho and Alexander D. MacKerell, Jr. Consideration of Molecular Weight During Compound Selection in Virtual Target-Based Database Screening.2003;(1); 267-272
73.Niu Huang, Linbo Qu, Qiqing Zhu, Fengming Chu, Guangzhong Yang and Zongru Guo. Studies on the Structure-Activity Relationship of Retinoids: Molecular Modeling of Interaction between Selective Retinoids Nuclear Receptors.Acta Pharmaceutica Sinica.1999, 34: 358-362
75.Qiqin Zhu, Zongru Guo,Niu Huang,76.Minmin Wang,Niu Huang, Guangzhong Yang and Zongru Guo. Studies on the Structure-Activity Relationship of Retinoids: II. 3D-QSAR of Retinoids and Receptor Interaction.Acta Pharmaceutical Sinica. 1997, 32(1): 43-48
<span lang="EN-US" "="" style=";padding: 0px;border: 0px">77.Niu Huang, Minmin Wang, Fengmin Chu and Zongru Guo.Studies on the Structure-Activity Relationship of Retinoids: I. 3D-QSAR of Retinoidal Anti-Carcinogenic Activities.Acta Pharmaceutica Sinica. 1996, 31(12): 932-939
