Niu Huang - RankMe

17 papers A 1Journal 16

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	AI-Designed Molecules in Drug Discovery, Structural Novelty Evaluation, and Implications. J. Chem. Inf. Model. Shihan Xie, Hui Zhu, Niu Huang
2025	J	`jnl`	Assessing small molecule conformational sampling methods in molecular docking. J. Comput. Chem. Qiancheng Xia, Qiuyu Fu, Cheng Shen, Ruth Brenk, Niu Huang
2025	A	`conf`	Trillion Ligands per Day: Performance-Portable Virtual Screening via Compound Database Optimization and Multi-Target Docking. SC Xiaohui Duan, Cheng Shen, Gaowei Chen, Shanshan Wu, Yizhen Wang, Yizhen Chen, Qixin Chang, Qiancheng Xia, Zekun Yin, Lin Gan, Yibing Shan, Guangwen Yang, Weiguo Liu, Niu Huang
2024	J	`jnl`	A High-Quality Data Set of Protein-Ligand Binding Interactions Via Comparative Complex Structure Modeling. J. Chem. Inf. Model. Xuelian Li, Cheng Shen, Hui Zhu, Yujian Yang, Qing Wang, Jincai Yang, Niu Huang
2024	J	`jnl`	Structure-Based Identification of Organoruthenium Compounds as Nanomolar Antagonists of Cannabinoid Receptors. J. Chem. Inf. Model. Qing Wang, Xuegang Fu, Yuting Yan, Tao Liu, Yuting Xie, Xiaoqing Song, Yu Zhou, Min Xu, Ping Wang, Peng Fu, Jianhui Huang, Niu Huang
2022	J	`jnl`	Assessment of the Generalization Abilities of Machine-Learning Scoring Functions for Structure-Based Virtual Screening. J. Chem. Inf. Model. Hui Zhu, Jincai Yang, Niu Huang
2022	J	`jnl`	Redesigning and Optimizing UCSF DOCK3.7 on Sunway TaihuLight. IEEE Trans. Parallel Distributed Syst. Kai Xu, Jinxiao Zhang, Xiaohui Duan, Xiaobo Wan, Niu Huang, Bertil Schmidt, Weiguo Liu, Guangwen Yang
2021	J	`jnl`	Light Graph Convolutional Collaborative Filtering With Multi-Aspect Information. IEEE Access Denghua Mei, Niu Huang, Xin Li
2020	J	`jnl`	Structure-Based Optimization of 10-DEBC Derivatives as Potent and Selective Pim-1 Kinase Inhibitors. J. Chem. Inf. Model. Gudong Li, Wei Zhang, Yuting Xie, Yang Li, Rao Cao, Guojun Zheng, Niu Huang, Yu Zhou
2019	J	`jnl`	Discovery of Novel Pim-1 Kinase Inhibitors with a Flexible-Receptor Docking Protocol. J. Chem. Inf. Model. Gudong Li, Wei Li, Yuting Xie, Xiaobo Wan, Guojun Zheng, Niu Huang, Yu Zhou
2019	J	`jnl`	Replacement of Protein Binding-Site Waters Contributes to Favorable Halogen Bond Interactions. J. Chem. Inf. Model. Yuanxun Wang, Qiuyu Fu, Yu Zhou, Yunfei Du, Niu Huang
2015	J	`jnl`	Discovery of 2-Acylaminothiophene-3-Carboxamides as Multitarget Inhibitors for BCR-ABL Kinase and Microtubules. J. Chem. Inf. Model. Ran Cao, Yanli Wang, Niu Huang
2014	J	`jnl`	Evaluation and Application of MD-PB/SA in Structure-Based Hierarchical Virtual Screening. J. Chem. Inf. Model. Ran Cao, Niu Huang, Yanli Wang
2013	J	`jnl`	A partition function-based weighting scheme in force field parameter development using J. Comput. Chem. Yao Wu, Xiaodong Dai, Niu Huang, Lifeng Zhao
2012	J	`jnl`	Discovery of Novel Tubulin Inhibitors via Structure-Based Hierarchical Virtual Screening. J. Chem. Inf. Model. Ran Cao, Minyu Liu, Min Yin, Quanhai Liu, Yanli Wang, Niu Huang
2006	J	`jnl`	Physics-Based Scoring of Protein-Ligand Complexes: Enrichment of Known Inhibitors in Large-Scale Virtual Screening. J. Chem. Inf. Model. Niu Huang, Chakrapani Kalyanaraman, John J. Irwin, Matthew P. Jacobson
2003	J	`jnl`	Consideration of Molecular Weight during Compound Selection in Virtual Target-Based Database Screening. J. Chem. Inf. Comput. Sci. Yongping Pan, Niu Huang, Samuel S. Cho, Alexander D. MacKerell Jr.