Niu Huang

Publication Activity (10 Years)

Years Active: 2003-2024
Publications (10 Years): 8

Top Topics

Fluorescence Microscopy

Protein Protein

Virtual Screening

Top Venues

J. Chem. Inf. Model.

IEEE Trans. Parallel Distributed Syst.

Publications

Qing Wang, Xuegang Fu, Yuting Yan, Tao Liu, Yuting Xie, Xiaoqing Song, Yu Zhou, Min Xu, Ping Wang, Peng Fu, Jianhui Huang, Niu Huang
Structure-Based Identification of Organoruthenium Compounds as Nanomolar Antagonists of Cannabinoid Receptors. J. Chem. Inf. Model. 64 (3) (2024)
Xuelian Li, Cheng Shen, Hui Zhu, Yujian Yang, Qing Wang, Jincai Yang, Niu Huang
A High-Quality Data Set of Protein-Ligand Binding Interactions Via Comparative Complex Structure Modeling. J. Chem. Inf. Model. 64 (7) (2024)
Kai Xu, Jinxiao Zhang, Xiaohui Duan, Xiaobo Wan, Niu Huang, Bertil Schmidt, Weiguo Liu, Guangwen Yang
Redesigning and Optimizing UCSF DOCK3.7 on Sunway TaihuLight. IEEE Trans. Parallel Distributed Syst. 33 (10) (2022)
Hui Zhu, Jincai Yang, Niu Huang
Assessment of the Generalization Abilities of Machine-Learning Scoring Functions for Structure-Based Virtual Screening. J. Chem. Inf. Model. 62 (22) (2022)
Denghua Mei, Niu Huang, Xin Li
Light Graph Convolutional Collaborative Filtering With Multi-Aspect Information. IEEE Access 9 (2021)
Gudong Li, Wei Zhang, Yuting Xie, Yang Li, Rao Cao, Guojun Zheng, Niu Huang, Yu Zhou
Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J. Chem. Inf. Model. 60 (6) (2020)
Gudong Li, Wei Li, Yuting Xie, Xiaobo Wan, Guojun Zheng, Niu Huang, Yu Zhou
Discovery of Novel Pim-1 Kinase Inhibitors with a Flexible-Receptor Docking Protocol. J. Chem. Inf. Model. 59 (10) (2019)
Yuanxun Wang, Qiuyu Fu, Yu Zhou, Yunfei Du, Niu Huang
Replacement of Protein Binding-Site Waters Contributes to Favorable Halogen Bond Interactions. J. Chem. Inf. Model. 59 (7) (2019)
Ran Cao, Yanli Wang, Niu Huang
Discovery of 2-Acylaminothiophene-3-Carboxamides as Multitarget Inhibitors for BCR-ABL Kinase and Microtubules. J. Chem. Inf. Model. 55 (11) (2015)
Ran Cao, Niu Huang, Yanli Wang
Evaluation and Application of MD-PB/SA in Structure-Based Hierarchical Virtual Screening. J. Chem. Inf. Model. 54 (7) (2014)
Yao Wu, Xiaodong Dai, Niu Huang, Lifeng Zhao
calculation results in global configurational space. J. Comput. Chem. 34 (15) (2013)
Xiaobo Wan, Yue Ma, Christopher L. McClendon, Lily Jun-shen Huang, Niu Huang
Modeling and Experimental Assessment of Janus Kinase 2 (JAK2) Kinase-Pseudokinase Complex Structure. PLoS Comput. Biol. 9 (4) (2013)
Ran Cao, Minyu Liu, Min Yin, Quanhai Liu, Yanli Wang, Niu Huang
Discovery of Novel Tubulin Inhibitors via Structure-Based Hierarchical Virtual Screening. J. Chem. Inf. Model. 52 (10) (2012)
Niu Huang, Chakrapani Kalyanaraman, John J. Irwin, Matthew P. Jacobson
Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening. J. Chem. Inf. Model. 46 (1) (2006)
Yongping Pan, Niu Huang, Sam Cho, Alexander D. MacKerell Jr.
Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening. J. Chem. Inf. Comput. Sci. 43 (1) (2003)