Hualiang Jiang

57 papers Journal 54Unranked 3

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	Computing the relative binding affinity of ligands based on a pairwise binding comparison network. Nat. Comput. Sci. Jie Yu, Zhaojun Li, Geng Chen, Xiangtai Kong, Jie Hu, Dingyan Wang, Duanhua Cao, Yanbei Li, Ruifeng Huo, Gang Wang, Xiaohong Liu, Hualiang Jiang, Xutong Li, Xiaomin Luo, Mingyue Zheng
2023	J	`jnl`	Loops Mediate Agonist-Induced Activation of the Stimulator of Interferon Genes Protein. J. Chem. Inf. Model. Rui Li, Lin Chen, Xinheng He, Duanhua Cao, Zehong Zhang, Hualiang Jiang, Kaixian Chen, Xi Cheng
2023	J	`jnl`	MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules. J. Cheminformatics Xiaohong Liu, Wei Zhang, Xiaochu Tong, Feisheng Zhong, Zhaojun Li, Zhaoping Xiong, Jiacheng Xiong, Xiaolong Wu, Zunyun Fu, Xiaoqin Tan, Zhiguo Liu, Sulin Zhang, Hualiang Jiang, Xutong Li, Mingyue Zheng
2022	J	`jnl`	An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph. Briefings Bioinform. Xiaozhe Wan, Xiaolong Wu, Dingyan Wang, Xiaoqin Tan, Xiaohong Liu, Zunyun Fu, Hualiang Jiang, Mingyue Zheng, Xutong Li
2022	J	`jnl`	Blood-brain barrier penetration prediction enhanced by uncertainty estimation. J. Cheminformatics Xiaochu Tong, Dingyan Wang, Xiaoyu Ding, Xiaoqin Tan, Qun Ren, Geng Chen, Yu Rong, Tingyang Xu, Junzhou Huang, Hualiang Jiang, Mingyue Zheng, Xutong Li
2022	—	`conf`	Image Inpainting Based Multi-scale Gated Convolution and Attention. ICANN (2) Hualiang Jiang, Xiaohu Ma, Dongdong Yang, Jiaxin Zhao, Yao Shen
2022	J	`jnl`	Multi-instance learning of graph neural networks for aqueous pKa prediction. Bioinform. Jiacheng Xiong, Zhaojun Li, Guangchao Wang, Zunyun Fu, Feisheng Zhong, Tingyang Xu, Xiaomeng Liu, Ziming Huang, Xiaohong Liu, Kaixian Chen, Hualiang Jiang, Mingyue Zheng
2021	J	`jnl`	A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling. J. Cheminformatics Dingyan Wang, Jie Yu, Lifan Chen, Xutong Li, Hualiang Jiang, Kaixian Chen, Mingyue Zheng, Xiaomin Luo
2021	J	`jnl`	Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge. PLoS Comput. Biol. Zhaoping Xiong, Minji Jeon, Robert J. Allaway, Jaewoo Kang, Donghyeon Park, Jinhyuk Lee, Hwisang Jeon, Miyoung Ko, Hualiang Jiang, Mingyue Zheng, Aik Choon Tan, Xindi Guo, Multi-Targeting Drug DREAM Challenge Community, Kristen K. Dang, Alexander Tropsha, Chana Hecht, Tirtha K. Das, Heather A. Carlson, Ruben Abagyan, Justin Guinney, Avner Schlessinger, Ross L. Cagan
2021	J	`jnl`	Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug-drug links based on graph neural network. Bioinform. Chen Cui, Xiaoyu Ding, Dingyan Wang, Lifan Chen, Fu Xiao, Tingyang Xu, Mingyue Zheng, Xiaomin Luo, Hualiang Jiang, Kaixian Chen
2021	J	`jnl`	DrugSpaceX: a large screenable and synthetically tractable database extending drug space. Nucleic Acids Res. Tianbiao Yang, Zhaojun Li, Yingjia Chen, Dan Feng, Guangchao Wang, Zunyun Fu, Xiaoyu Ding, Xiaoqin Tan, Jihui Zhao, Xiaomin Luo, Kaixian Chen, Hualiang Jiang, Mingyue Zheng
2021	—	`conf`	MA-GAN: A Method Based on Generative Adversarial Network for Calligraphy Morphing. ICONIP (1) Jiaxin Zhao, Yang Zhang, Xiaohu Ma, Dongdong Yang, Yao Shen, Hualiang Jiang
2020	J	`jnl`	TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments. Bioinform. Lifan Chen, Xiaoqin Tan, Dingyan Wang, Feisheng Zhong, Xiaohong Liu, Tianbiao Yang, Xiaomin Luo, Kaixian Chen, Hualiang Jiang, Mingyue Zheng, Arne Elofsson
2019	J	`jnl`	KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules. Bioinform. Zhaojun Li, Xutong Li, Xiaohong Liu, Zunyun Fu, Zhaoping Xiong, Xiaolong Wu, Xiaoqin Tan, Jihui Zhao, Feisheng Zhong, Xiaozhe Wan, Xiaomin Luo, Kaixian Chen, Hualiang Jiang, Mingyue Zheng
2017	J	`jnl`	Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4. J. Chem. Inf. Model. Jing Xing, Wenchao Lu, Rongfeng Liu, Yulan Wang, Yiqian Xie, Hao Zhang, Zhe Shi, Hao Jiang, Yu-Chih Liu, Kaixian Chen, Hualiang Jiang, Cheng Luo, Mingyue Zheng
2016	J	`jnl`	Discovery of Novel Inhibitors Targeting the Menin-Mixed Lineage Leukemia Interface Using Pharmacophore- and Docking-Based Virtual Screening. J. Chem. Inf. Model. Yuan Xu, Liyan Yue, Yulan Wang, Jing Xing, Zhifeng Chen, Zhe Shi, Rongfeng Liu, Yu-Chih Liu, Xiaomin Luo, Hualiang Jiang, Kaixian Chen, Cheng Luo, Mingyue Zheng
2016	J	`jnl`	Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays. J. Chem. Inf. Model. Shijie Chen, Linjuan Li, Yantao Chen, Junchi Hu, Jingqiu Liu, Yu-Chih Liu, Rongfeng Liu, Yuanyuan Zhang, Fanwang Meng, Kongkai Zhu, Junyan Lu, Mingyue Zheng, Kaixian Chen, Jin Zhang, Hualiang Jiang, Zhiyi Yao, Cheng Luo
2015	J	`jnl`	An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy. J. Chem. Inf. Model. Fang Bai, Sha Liao, Junfeng Gu, Hualiang Jiang, Xicheng Wang, Honglin Li
2015	J	`jnl`	Molecular Mechanism underlying PRMT1 Dimerization for SAM Binding and Methylase Activity. J. Chem. Inf. Model. Ran Zhou, Yiqian Xie, Hao Hu, Guang Hu, Viral Sanjay Patel, Jin Zhang, Kunqian Yu, Yiran Huang, Hualiang Jiang, Zhongjie Liang, Yujun George Zheng, Cheng Luo
2015	J	`jnl`	TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds. Bioinform. Xian Liu, Yuan Gao, Jianlong Peng, Yuan Xu, Yulan Wang, Nannan Zhou, Jing Xing, Xiaomin Luo, Hualiang Jiang, Mingyue Zheng
2015	J	`jnl`	Understanding Voltage Gating of PLoS Comput. Biol. Wanling Song, Harsha Bajaj, Chady Nasrallah, Hualiang Jiang, Mathias Winterhalter, Jacques-Philippe Colletier, Yechun Xu
2014	J	`jnl`	Estimation of acute oral toxicity in rat using local lazy learning. J. Cheminformatics Jing Lu, Jianlong Peng, Jinan Wang, Qiancheng Shen, Yi Bi, Likun Gong, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen
2014	J	`jnl`	In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion. J. Cheminformatics Xian Liu, Yuan Xu, Shanshan Li, Yulan Wang, Jianlong Peng, Cheng Luo, Xiaomin Luo, Mingyue Zheng, Kaixian Chen, Hualiang Jiang
2014	J	`jnl`	iDrug: a web-accessible and interactive drug discovery and design platform. J. Cheminformatics Xia Wang, Haipeng Chen, Feng Yang, Jiayu Gong, Shiliang Li, Jianfeng Pei, Xiaofeng Liu, Hualiang Jiang, Luhua Lai, Honglin Li
2013	J	`jnl`	A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1. J. Comput. Aided Mol. Des. Kongkai Zhu, Junyan Lu, Zhongjie Liang, Xiangqian Kong, Fei Ye, Lu Jin, Heji Geng, Yong Chen, Mingyue Zheng, Hualiang Jiang, Jun-Qian Li, Cheng Luo
2013	J	`jnl`	ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method. Bioinform. Jiayu Gong, Chaoqian Cai, Xiaofeng Liu, Xin Ku, Hualiang Jiang, Daqi Gao, Honglin Li
2013	J	`jnl`	Discovery of Novel Acetohydroxyacid Synthase Inhibitors as Active Agents against J. Chem. Inf. Model. Di Wang, Xuelian Zhu, Changjun Cui, Mei Dong, Hualiang Jiang, Zhengming Li, Zhen Liu, Weiliang Zhu, Jianguo Wang
2013	J	`jnl`	Molecular Modeling of the 3D Structure of 5-HT J. Chem. Inf. Model. Lili Xu, Shanglin Zhou, Kunqian Yu, Bo Gao, Hualiang Jiang, Xuechu Zhen, Wei Fu
2013	J	`jnl`	Water PMF for predicting the properties of water molecules in protein binding site. J. Comput. Chem. Mingyue Zheng, Yanlian Li, Bing Xiong, Hualiang Jiang, Jingkang Shen
2012	J	`jnl`	Estimation of Carcinogenicity Using Molecular Fragments Tree. J. Chem. Inf. Model. Yong Wang, Jing Lu, Fei Wang, Qiancheng Shen, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen
2011	J	`jnl`	Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation. J. Chem. Inf. Model. Fei Wang, Dongxiang Liu, Heyao Wang, Cheng Luo, Mingyue Zheng, Hong Liu, Weiliang Zhu, Xiaomin Luo, Jian Zhang, Hualiang Jiang
2011	J	`jnl`	Fragment-based prediction of skin sensitization using recursive partitioning. J. Comput. Aided Mol. Des. Jing Lu, Mingyue Zheng, Yong Wang, Qiancheng Shen, Xiaomin Luo, Hualiang Jiang, Kaixian Chen
2011	J	`jnl`	Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched? J. Chem. Inf. Model. Qiancheng Shen, Bing Xiong, Mingyue Zheng, Xiaomin Luo, Cheng Luo, Xian Liu, Yun Du, Jing Li, Weiliang Zhu, Jingkang Shen, Hualiang Jiang
2011	J	`jnl`	Knowledge-Based Scoring Functions in Drug Design: 3. A Two-Dimensional Knowledge-Based Hydrogen-Bonding Potential for the Prediction of Protein-Ligand Interactions. J. Chem. Inf. Model. Mingyue Zheng, Bing Xiong, Cheng Luo, Shanshan Li, Xian Liu, Qiancheng Shen, Jing Li, Weiliang Zhu, Xiaomin Luo, Hualiang Jiang
2011	J	`jnl`	SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening. J. Chem. Inf. Model. Xiaofeng Liu, Hualiang Jiang, Honglin Li
2010	J	`jnl`	BSSF: a fingerprint based ultrafast binding site similarity search and function analysis server. BMC Bioinform. Bing Xiong, Jie Wu, David L. Burk, Mengzhu Xue, Hualiang Jiang, Jingkang Shen
2010	J	`jnl`	Bioactive Conformational Generation of Small Molecules: A Comparative Analysis between Force-Field and Multiple Empirical Criteria Based Methods. BMC Bioinform. Fang Bai, Xiaofeng Liu, Jiabo Li, Haoyun Zhang, Hualiang Jiang, Xicheng Wang, Honglin Li
2010	J	`jnl`	Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase-Ligand Interactions. J. Chem. Inf. Model. Mengzhu Xue, Mingyue Zheng, Bing Xiong, Yanlian Li, Hualiang Jiang, Jingkang Shen
2010	J	`jnl`	Multiple Pharmacophore Models Combined with Molecular Docking: A Reliable Way for Efficiently Identifying Novel PDE4 Inhibitors with High Structural Diversity. J. Chem. Inf. Model. Zhi Chen, Guanghui Tian, Zhen Wang, Hualiang Jiang, Jingshan Shen, Weiliang Zhu
2010	J	`jnl`	PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Res. Xiaofeng Liu, Sisheng Ouyang, Biao Yu, Yabo Liu, Kai Huang, Jiayu Gong, Siyuan Zheng, Zhihua Li, Honglin Li, Hualiang Jiang
2009	J	`jnl`	An effective docking strategy for virtual screening based on multi-objective optimization algorithm. BMC Bioinform. Honglin Li, Hailei Zhang, Mingyue Zheng, Jie Luo, Ling Kang, Xiaofeng Liu, Xicheng Wang, Hualiang Jiang
2009	J	`jnl`	An improved adaptive genetic algorithm for protein-ligand docking. J. Comput. Aided Mol. Des. Ling Kang, Honglin Li, Hualiang Jiang, Xicheng Wang
2009	J	`jnl`	Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation. BMC Bioinform. Xiaofeng Liu, Fang Bai, Sisheng Ouyang, Xicheng Wang, Honglin Li, Hualiang Jiang
2009	J	`jnl`	Optimizing Energy Potential for Protein Fold Recognition with Parametric Evaluation Function. J. Comput. Biol. Junfeng Gu, Honglin Li, Hualiang Jiang, Xicheng Wang
2009	J	`jnl`	Site of metabolism prediction for six biotransformations mediated by cytochromes P450. Bioinform. Mingyue Zheng, Xiaomin Luo, Qiancheng Shen, Yong Wang, Yun Du, Weiliang Zhu, Hualiang Jiang
2008	J	`jnl`	An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA. J. Chem. Inf. Model. Xiaoyu Zhao, Xiaofeng Liu, Yuanyuan Wang, Zhi Chen, Ling Kang, Hailei Zhang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Honglin Li, Xicheng Wang, Hualiang Jiang
2008	—	`conf`	DDGrid: A Grid Computing Environment with Massive Concurrency and Fault-Tolerance Support. GCC Yongjian Wang, Zhongzhi Luan, Depei Qian, Yuanqiang Huang, Ting Chen, Biao Han, Yinan Ren, Kunqian Yu, Hualiang Jiang
2008	J	`jnl`	DrugViz: a Cytoscape plugin for visualizing and analyzing small molecule drugs in biological networks. Bioinform. Bing Xiong, Ke Liu, Jie Wu, David L. Burk, Hualiang Jiang, Jingkang Shen
2008	J	`jnl`	Mechanics of Channel Gating of the Nicotinic Acetylcholine Receptor. PLoS Comput. Biol. Xinli Liu, Yechun Xu, Honglin Li, Xicheng Wang, Hualiang Jiang, Francisco J. Barrantes
2008	J	`jnl`	PDTD: a web-accessible protein database for drug target identification. BMC Bioinform. Zhenting Gao, Honglin Li, Hailei Zhang, Xiaofeng Liu, Ling Kang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Xicheng Wang, Hualiang Jiang
2007	J	`jnl`	Why does beta-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies. Comput. Biol. Chem. Zhili Zuo, Chen Gang, Hanjun Zou, Puah Chum Mok, Weiliang Zhu, Kaixian Chen, Hualiang Jiang
2006	J	`jnl`	Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine. Bioinform. Mingyue Zheng, Zhiguo Liu, Chunxia Xue, Weiliang Zhu, Kaixian Chen, Xiaomin Luo, Hualiang Jiang
2006	J	`jnl`	QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. J. Comput. Aided Mol. Des. Mingyue Zheng, Kunqian Yu, Hong Liu, Xiaomin Luo, Kaixian Chen, Weiliang Zhu, Hualiang Jiang
2006	J	`jnl`	TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res. Honglin Li, Zhenting Gao, Ling Kang, Hailei Zhang, Kun Yang, Kunqian Yu, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianhua Shen, Xicheng Wang, Hualiang Jiang
2006	J	`jnl`	Towards discovering dual functional inhibitors against both wild type and K103N mutant HIV-1 reverse transcriptases: molecular docking and QSAR studies on 4, 1-benzoxazepinone analogues. J. Comput. Aided Mol. Des. Zhenshan Zhang, Mingyue Zheng, Li Du, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang
2005	J	`jnl`	A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database. J. Chem. Inf. Model. Suxin Zheng, Xiaomin Luo, Gang Chen, Weiliang Zhu, Jianhua Shen, Kaixian Chen, Hualiang Jiang
1998	J	`jnl`	A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property. J. Chem. Inf. Comput. Sci. Dongxiang Liu, Hualiang Jiang, Kaixian Chen, RuYun Ji