Niu Huang - researchr alias

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Viewing Publication 1 - 14 from 14

2024

Structure-Based Identification of Organoruthenium Compounds as Nanomolar Antagonists of Cannabinoid ReceptorsQing Wang, Xuegang Fu, Yuting Yan, Tao Liu, Yuting Xie, Xiaoqing Song, Yu Zhou, Min Xu, Ping Wang, Peng Fu, Jianhui Huang, Niu Huang. jcisd, 64(3):761-774, 2024. [doi]

2022

Redesigning and Optimizing UCSF DOCK3.7 on Sunway TaihuLightKai Xu, Jinxiao Zhang, Xiaohui Duan, Xiaobo Wan, Niu Huang, Bertil Schmidt, Weiguo Liu, Guangwen Yang. tpds, 33(10):4458-4471, 2022. [doi]

Assessment of the Generalization Abilities of Machine-Learning Scoring Functions for Structure-Based Virtual ScreeningHui Zhu, JinCai Yang, Niu Huang. jcisd, 62(22):5485-5502, 2022. [doi]

2021

Light Graph Convolutional Collaborative Filtering With Multi-Aspect InformationDenghua Mei, Niu Huang, Xin Li. access, 9:34433-34441, 2021. [doi]

2020

Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase InhibitorsGudong Li, Wei Zhang, Yuting Xie, Yang Li, Rao Cao, Guojun Zheng, Niu Huang, Yu Zhou. jcisd, 60(6):3287-3294, 2020. [doi]

2019

Discovery of Novel Pim-1 Kinase Inhibitors with a Flexible-Receptor Docking ProtocolGudong Li, Wei Li, Yuting Xie, Xiaobo Wan, Guojun Zheng, Niu Huang, Yu Zhou. jcisd, 59(10):4116-4119, 2019. [doi]

Replacement of Protein Binding-Site Waters Contributes to Favorable Halogen Bond InteractionsYuanxun Wang, Qiuyu Fu, Yu Zhou, Yunfei Du, Niu Huang. jcisd, 59(7):3136-3143, 2019. [doi]

2015

Discovery of 2-Acylaminothiophene-3-Carboxamides as Multitarget Inhibitors for BCR-ABL Kinase and MicrotubulesRan Cao, Yanli Wang, Niu Huang. jcisd, 55(11):2435-2442, 2015. [doi]

2014

Evaluation and Application of MD-PB/SA in Structure-Based Hierarchical Virtual ScreeningRan Cao, Niu Huang, Yanli Wang. jcisd, 54(7):1987-1996, 2014. [doi]

2013

Ab Initio Modeling and Experimental Assessment of Janus Kinase 2 (JAK2) Kinase-Pseudokinase Complex StructureXiaobo Wan, Yue Ma, Christopher L. McClendon, Lily Jun-shen Huang, Niu Huang. ploscb, 9(4), 2013. [doi]

ab initio calculation results in global configurational spaceYao Wu, Xiaodong Dai, Niu Huang, Lifeng Zhao. jcc, 34(15):1271-1282, 2013. [doi]

2012

Discovery of Novel Tubulin Inhibitors via Structure-Based Hierarchical Virtual ScreeningRan Cao, Minyu Liu, Min Yin, Quanhai Liu, Yanli Wang, Niu Huang. jcisd, 52(10):2730-2740, 2012. [doi]

2006

Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual ScreeningNiu Huang, Chakrapani Kalyanaraman, John J. Irwin, Matthew P. Jacobson. jcisd, 46(1):243-253, 2006. [doi]

2003

Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database ScreeningYongping Pan, Niu Huang, Sam Cho, Alexander D. MacKerell Jr.. jcisd, 43(1):267-272, 2003. [doi]

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