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2020 – today
- 2023
[j55]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:
MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules. J. Cheminformatics 15(1): 42 (2023)- [j54]Rui Li, Lin Chen, Xinheng He, Duanhua Cao, Zehong Zhang
, Hualiang Jiang, Kaixian Chen, Xi Cheng:
Loops Mediate Agonist-Induced Activation of the Stimulator of Interferon Genes Protein. J. Chem. Inf. Model. 63(23): 7373-7381 (2023) - [j53]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:
Computing the relative binding affinity of ligands based on a pairwise binding comparison network. Nat. Comput. Sci. 3(10): 860-872 (2023) - 2022
- [j52]Xiaozhe Wan, Xiaolong Wu, Dingyan Wang, Xiaoqin Tan, Xiaohong Liu, Zunyun Fu, Hualiang Jiang, Mingyue Zheng, Xutong Li:
An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph. Briefings Bioinform. 23(3) (2022) - [j51]Jiacheng Xiong, Zhaojun Li, Guangchao Wang, Zunyun Fu, Feisheng Zhong, Tingyang Xu, Xiaomeng Liu, Ziming Huang, Xiaohong Liu, Kaixian Chen, Hualiang Jiang, Mingyue Zheng:
Multi-instance learning of graph neural networks for aqueous pKa prediction. Bioinform. 38(3): 792-798 (2022) - [j50]Xiaochu Tong, Dingyan Wang, Xiaoyu Ding, Xiaoqin Tan, Qun Ren, Geng Chen, Yu Rong, Tingyang Xu, Junzhou Huang, Hualiang Jiang, Mingyue Zheng, Xutong Li:
Blood-brain barrier penetration prediction enhanced by uncertainty estimation. J. Cheminformatics 14(1): 44 (2022) - [c3]Hualiang Jiang, Xiaohu Ma, Dongdong Yang, Jiaxin Zhao, Yao Shen:
Image Inpainting Based Multi-scale Gated Convolution and Attention. ICANN (2) 2022: 407-418 - 2021
- [j49]Chen Cui, Xiaoyu Ding, Dingyan Wang, Lifan Chen, Fu Xiao, Tingyang Xu, Mingyue Zheng, Xiaomin Luo, Hualiang Jiang, Kaixian Chen:
Drug repurposing against breast cancer by integrating drug-exposure expression profiles and drug-drug links based on graph neural network. Bioinform. 37(18): 2930-2937 (2021) - [j48]Dingyan Wang, Jie Yu, Lifan Chen, Xutong Li, Hualiang Jiang, Kaixian Chen, Mingyue Zheng, Xiaomin Luo:
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling. J. Cheminformatics 13(1): 69 (2021) - [j47]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:
DrugSpaceX: a large screenable and synthetically tractable database extending drug space. Nucleic Acids Res. 49(Database-Issue): D1170-D1178 (2021) - [j46]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, Alex Tropsha, Chana Hecht, Tirtha K. Das, Heather A. Carlson, Ruben Abagyan, Justin Guinney, Avner Schlessinger, Ross L. Cagan:
Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge. PLoS Comput. Biol. 17(9) (2021) - [c2]Jiaxin Zhao, Yang Zhang, Xiaohu Ma, Dongdong Yang, Yao Shen, Hualiang Jiang:
MA-GAN: A Method Based on Generative Adversarial Network for Calligraphy Morphing. ICONIP (1) 2021: 266-278 - 2020
- [j45]Lifan Chen, Xiaoqin Tan, Dingyan Wang, Feisheng Zhong, Xiaohong Liu, Tianbiao Yang, Xiaomin Luo, Kaixian Chen, Hualiang Jiang, Mingyue Zheng, Arne Elofsson:
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments. Bioinform. 36(16): 4406-4414 (2020)
2010 – 2019
- 2019
- [j44]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:
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules. Bioinform. 35(24): 5354-5356 (2019) - 2017
- [j43]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:
Machine-Learning-Assisted Approach for Discovering Novel Inhibitors Targeting Bromodomain-Containing Protein 4. J. Chem. Inf. Model. 57(7): 1677-1690 (2017) - 2016
- [j42]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:
Identification of Novel Disruptor of Telomeric Silencing 1-like (DOT1L) Inhibitors through Structure-Based Virtual Screening and Biological Assays. J. Chem. Inf. Model. 56(3): 527-534 (2016) - [j41]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:
Discovery of Novel Inhibitors Targeting the Menin-Mixed Lineage Leukemia Interface Using Pharmacophore- and Docking-Based Virtual Screening. J. Chem. Inf. Model. 56(9): 1847-1855 (2016) - 2015
- [j40]Xian Liu, Yuan Gao, Jianlong Peng, Yuan Xu, Yulan Wang, Nannan Zhou, Jing Xing, Xiaomin Luo, Hualiang Jiang, Mingyue Zheng:
TarPred: a web application for predicting therapeutic and side effect targets of chemical compounds. Bioinform. 31(12): 2049-2051 (2015) - [j39]Fang Bai, Sha Liao, Junfeng Gu, Hualiang Jiang, Xicheng Wang, Honglin Li:
An Accurate Metalloprotein-Specific Scoring Function and Molecular Docking Program Devised by a Dynamic Sampling and Iteration Optimization Strategy. J. Chem. Inf. Model. 55(4): 833-847 (2015) - [j38]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:
Molecular Mechanism underlying PRMT1 Dimerization for SAM Binding and Methylase Activity. J. Chem. Inf. Model. 55(12): 2623-2632 (2015) - [j37]Wanling Song, Harsha Bajaj, Chady Nasrallah, Hualiang Jiang, Mathias Winterhalter, Jacques-Philippe Colletier, Yechun Xu:
Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level. PLoS Comput. Biol. 11(5) (2015) - 2014
- [j36]Jianlong Peng, Jing Lu, Qiancheng Shen, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen:
In silico site of metabolism prediction for human UGT-catalyzed reactions. Bioinform. 30(3): 398-405 (2014) - [j35]Jing Lu, Jianlong Peng, Jinan Wang, Qiancheng Shen, Yi Bi, Likun Gong, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen:
Estimation of acute oral toxicity in rat using local lazy learning. J. Cheminformatics 6(1): 26 (2014) - [j34]Xia Wang, Haipeng Chen, Feng Yang, Jiayu Gong, Shiliang Li, Jianfeng Pei, Xiaofeng Liu, Hualiang Jiang, Luhua Lai, Honglin Li:
iDrug: a web-accessible and interactive drug discovery and design platform. J. Cheminformatics 6(1): 28 (2014) - [j33]Xian Liu, Yuan Xu, Shanshan Li, Yulan Wang, Jianlong Peng, Cheng Luo, Xiaomin Luo, Mingyue Zheng, Kaixian Chen, Hualiang Jiang:
In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion. J. Cheminformatics 6(1): 33 (2014) - 2013
- [j32]Jiayu Gong, Chaoqian Cai, Xiaofeng Liu, Xin Ku, Hualiang Jiang, Daqi Gao, Honglin Li:
ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method. Bioinform. 29(14): 1827-1829 (2013) - [j31]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:
A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1. J. Comput. Aided Mol. Des. 27(3): 247-256 (2013) - [j30]Mingyue Zheng, Yanlian Li, Bing Xiong, Hualiang Jiang, Jingkang Shen:
Water PMF for predicting the properties of water molecules in protein binding site. J. Comput. Chem. 34(7): 583-592 (2013) - [j29]Di Wang, Xuelian Zhu, Changjun Cui, Mei Dong, Hualiang Jiang, Zhengming Li, Zhen Liu, Weiliang Zhu, Jianguo Wang:
Discovery of Novel Acetohydroxyacid Synthase Inhibitors as Active Agents against Mycobacterium tuberculosis by Virtual Screening and Bioassay. J. Chem. Inf. Model. 53(2): 343-353 (2013) - [j28]Lili Xu, Shanglin Zhou, Kunqian Yu, Bo Gao, Hualiang Jiang, Xuechu Zhen, Wei Fu:
Molecular Modeling of the 3D Structure of 5-HT1AR: Discovery of Novel 5-HT1AR Agonists via Dynamic Pharmacophore-Based Virtual Screening. J. Chem. Inf. Model. 53(12): 3202-3211 (2013) - 2012
- [j27]Yong Wang, Jing Lu, Fei Wang, Qiancheng Shen, Mingyue Zheng, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang, Kaixian Chen:
Estimation of Carcinogenicity Using Molecular Fragments Tree. J. Chem. Inf. Model. 52(8): 1994-2003 (2012) - 2011
- [j26]Jing Lu, Mingyue Zheng, Yong Wang, Qiancheng Shen, Xiaomin Luo, Hualiang Jiang, Kaixian Chen:
Fragment-based prediction of skin sensitization using recursive partitioning. J. Comput. Aided Mol. Des. 25(9): 885-893 (2011) - [j25]Qiancheng Shen, Bing Xiong, Mingyue Zheng, Xiaomin Luo, Cheng Luo, Xian Liu, Yun Du, Jing Li, Weiliang Zhu, Jingkang Shen, Hualiang Jiang:
Knowledge-Based Scoring Functions in Drug Design: 2. Can the Knowledge Base Be Enriched? J. Chem. Inf. Model. 51(2): 386-397 (2011) - [j24]Xiaofeng Liu, Hualiang Jiang, Honglin Li:
SHAFTS: A Hybrid Approach for 3D Molecular Similarity Calculation. 1. Method and Assessment of Virtual Screening. J. Chem. Inf. Model. 51(9): 2372-2385 (2011) - [j23]Fei Wang, DongXiang Liu, Heyao Wang, Cheng Luo, Mingyue Zheng, Hong Liu, Weiliang Zhu, Xiaomin Luo, Jian Zhang, Hualiang Jiang:
Computational Screening for Active Compounds Targeting Protein Sequences: Methodology and Experimental Validation. J. Chem. Inf. Model. 51(11): 2821-2828 (2011) - [j22]Mingyue Zheng, Bing Xiong, Cheng Luo, Shanshan Li, Xian Liu, Qiancheng Shen, Jing Li, Weiliang Zhu, Xiaomin Luo, Hualiang Jiang:
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. 51(11): 2994-3004 (2011) - 2010
- [j21]Bing Xiong, Jie Wu, David L. Burk, Mengzhu Xue, Hualiang Jiang, Jingkang Shen:
BSSF: a fingerprint based ultrafast binding site similarity search and function analysis server. BMC Bioinform. 11: 47 (2010) - [j20]Fang Bai, Xiaofeng Liu, Jiabo Li, Haoyun Zhang, Hualiang Jiang, Xicheng Wang, Honglin Li:
Bioactive Conformational Generation of Small Molecules: A Comparative Analysis between Force-Field and Multiple Empirical Criteria Based Methods. BMC Bioinform. 11: 545 (2010) - [j19]Zhi Chen, Guanghui Tian, Zhen Wang, Hualiang Jiang, Jingshan Shen, Weiliang Zhu:
Multiple Pharmacophore Models Combined with Molecular Docking: A Reliable Way for Efficiently Identifying Novel PDE4 Inhibitors with High Structural Diversity. J. Chem. Inf. Model. 50(4): 615-625 (2010) - [j18]Mengzhu Xue, Mingyue Zheng, Bing Xiong, Yanlian Li, Hualiang Jiang, Jingkang Shen:
Knowledge-Based Scoring Functions in Drug Design. 1. Developing a Target-Specific Method for Kinase-Ligand Interactions. J. Chem. Inf. Model. 50(8): 1378-1386 (2010) - [j17]Xiaofeng Liu, Sisheng Ouyang, Biao Yu, Yabo Liu, Kai Huang, Jiayu Gong, Siyuan Zheng, Zhihua Li, Honglin Li, Hualiang Jiang:
PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach. Nucleic Acids Res. 38(Web-Server-Issue): 609-614 (2010)
2000 – 2009
- 2009
- [j16]Mingyue Zheng, Xiaomin Luo, Qiancheng Shen, Yong Wang, Yun Du, Weiliang Zhu, Hualiang Jiang:
Site of metabolism prediction for six biotransformations mediated by cytochromes P450. Bioinform. 25(10): 1251-1258 (2009) - [j15]Honglin Li, Hailei Zhang, Mingyue Zheng, Jie Luo, Ling Kang, Xiaofeng Liu, Xicheng Wang, Hualiang Jiang:
An effective docking strategy for virtual screening based on multi-objective optimization algorithm. BMC Bioinform. 10 (2009) - [j14]Xiaofeng Liu, Fang Bai, Sisheng Ouyang, Xicheng Wang, Honglin Li, Hualiang Jiang:
Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation. BMC Bioinform. 10 (2009) - [j13]Ling Kang, Honglin Li, Hualiang Jiang, Xicheng Wang:
An improved adaptive genetic algorithm for protein-ligand docking. J. Comput. Aided Mol. Des. 23(1): 1-12 (2009) - [j12]Junfeng Gu, Honglin Li, Hualiang Jiang, Xicheng Wang:
Optimizing Energy Potential for Protein Fold Recognition with Parametric Evaluation Function. J. Comput. Biol. 16(3): 427-442 (2009) - 2008
- [j11]Bing Xiong, Ke Liu, Jie Wu, David L. Burk, Hualiang Jiang, Jingkang Shen:
DrugViz: a Cytoscape plugin for visualizing and analyzing small molecule drugs in biological networks. Bioinform. 24(18): 2117-2118 (2008) - [j10]Zhenting Gao, Honglin Li, Hailei Zhang, Xiaofeng Liu, Ling Kang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Xicheng Wang, Hualiang Jiang:
PDTD: a web-accessible protein database for drug target identification. BMC Bioinform. 9 (2008) - [j9]Xiaoyu Zhao, Xiaofeng Liu, Yuanyuan Wang, Zhi Chen, Ling Kang, Hailei Zhang, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Honglin Li, Xicheng Wang, Hualiang Jiang:
An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA. J. Chem. Inf. Model. 48(7): 1438-1447 (2008) - [j8]Xinli Liu, Yechun Xu, Honglin Li, Xicheng Wang, Hualiang Jiang, Francisco J. Barrantes:
Mechanics of Channel Gating of the Nicotinic Acetylcholine Receptor. PLoS Comput. Biol. 4(1) (2008) - [c1]Yongjian Wang, Zhongzhi Luan, Depei Qian, Yuanqiang Huang, Ting Chen, Biao Han, Yinan Ren, Kunqian Yu, Hualiang Jiang:
DDGrid: A Grid Computing Environment with Massive Concurrency and Fault-Tolerance Support. GCC 2008: 5-14 - 2007
- [j7]Zhili Zuo, Chen Gang, Hanjun Zou, Puah Chum Mok, Weiliang Zhu, Kaixian Chen, Hualiang Jiang:
Why does beta-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies. Comput. Biol. Chem. 31(3): 186-195 (2007) - 2006
- [j6]Mingyue Zheng, Zhiguo Liu, Chunxia Xue, Weiliang Zhu, Kaixian Chen, Xiaomin Luo, Hualiang Jiang:
Mutagenic probability estimation of chemical compounds by a novel molecular electrophilicity vector and support vector machine. Bioinform. 22(17): 2099-2106 (2006) - [j5]Zhenshan Zhang, Mingyue Zheng, Li Du, Jianhua Shen, Xiaomin Luo, Weiliang Zhu, Hualiang Jiang:
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. 20(5): 281-293 (2006) - [j4]Mingyue Zheng, Kunqian Yu, Hong Liu, Xiaomin Luo, Kaixian Chen, Weiliang Zhu, Hualiang Jiang:
QSAR analyses on avian influenza virus neuraminidase inhibitors using CoMFA, CoMSIA, and HQSAR. J. Comput. Aided Mol. Des. 20(9): 549-566 (2006) - [j3]Honglin Li, Zhenting Gao, Ling Kang, Hailei Zhang, Kun Yang, Kunqian Yu, Xiaomin Luo, Weiliang Zhu, Kaixian Chen, Jianhua Shen, Xicheng Wang, Hualiang Jiang:
TarFisDock: a web server for identifying drug targets with docking approach. Nucleic Acids Res. 34(Web-Server-Issue): 219-224 (2006) - 2005
- [j2]Suxin Zheng, Xiaomin Luo, Gang Chen, Weiliang Zhu, Jianhua Shen, Kaixian Chen, Hualiang Jiang:
A New Rapid and Effective Chemistry Space Filter in Recognizing a Druglike Database. J. Chem. Inf. Model. 45(4): 856-862 (2005)
1990 – 1999
- 1998
- [j1]DongXiang Liu, Hualiang Jiang, Kaixian Chen, RuYun Ji:
A New Approach to Design Virtual Combinatorial Library with Genetic Algorithm Based on 3D Grid Property. J. Chem. Inf. Comput. Sci. 38(2): 233-242 (1998)
Coauthor Index
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