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2020 – today
- 2024
[j39]Wenkai Xiang
, Feisheng Zhong, Lin Ni, Mingyue Zheng, Xutong Li, Qian Shi, Dingyan Wang:
Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining. Briefings Bioinform. 25(4) (2024)- [j38]Duanhua Cao, Geng Chen, Jiaxin Jiang, Jie Yu, Runze Zhang, Mingan Chen, Wei Zhang, Lifan Chen, Feisheng Zhong, Yingying Zhang, Chenghao Lu, Xutong Li, Xiaomin Luo, Sulin Zhang, Mingyue Zheng:
Generic protein-ligand interaction scoring by integrating physical prior knowledge and data augmentation modelling. Nat. Mac. Intell. 6(6): 688-700 (2024) - [j37]Zhehuan Fan, Jie Yu, Xiang Zhang, Yijie Chen, Shihui Sun, Yuanyuan Zhang, Mingan Chen, Fu Xiao, Wenyong Wu, Xutong Li, Mingyue Zheng, Xiaomin Luo, Dingyan Wang:
Reducing overconfident errors in molecular property classification using Posterior Network. Patterns 5(6): 100991 (2024) - [c5]Yuxuan Song, Jingjing Gong, Hao Zhou, Mingyue Zheng, Jingjing Liu, Wei-Ying Ma:
Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks. ICLR 2024 - [c4]Yanru Qu, Keyue Qiu, Yuxuan Song, Jingjing Gong, Jiawei Han, Mingyue Zheng, Hao Zhou, Wei-Ying Ma:
MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space. ICML 2024 - [i3]Yuwei Yang, Siqi Ouyang, Xueyu Hu, Mingyue Zheng, Hao Zhou, Lei Li:
Structure-Based Drug Design via 3D Molecular Generative Pre-training and Sampling. CoRR abs/2402.14315 (2024) - [i2]Yuxuan Song, Jingjing Gong, Yanru Qu, Hao Zhou, Mingyue Zheng, Jingjing Liu, Wei-Ying Ma:
Unified Generative Modeling of 3D Molecules via Bayesian Flow Networks. CoRR abs/2403.15441 (2024) - [i1]Yanru Qu, Keyue Qiu, Yuxuan Song, Jingjing Gong, Jiawei Han, Mingyue Zheng, Hao Zhou, Wei-Ying Ma:
MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space. CoRR abs/2404.12141 (2024) - 2023
- [j36]Haichao Sun, Guoyin Wang, Qun Liu, Jie Yang, Mingyue Zheng:
An explainable molecular property prediction via multi-granularity. Inf. Sci. 642: 119094 (2023) - [j35]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) - [j34]Zimei Zhang, Gang Wang, Rui Li, Lin Ni, Runze Zhang, Kaiyang Cheng, Qun Ren, Xiangtai Kong, Shengkun Ni, Xiaochu Tong, Li Luo, Dingyan Wang, Xiaojie Lu, Mingyue Zheng, Xutong Li:
Tora3D: an autoregressive torsion angle prediction model for molecular 3D conformation generation. J. Cheminformatics 15(1): 57 (2023) - [j33]Yitian Wang, Jiacheng Xiong, Fu Xiao, Wei Zhang, Kaiyang Cheng, Jingxin Rao, Buying Niu, Xiaochu Tong, Ning Qu, Runze Zhang, Dingyan Wang, Kaixian Chen, Xutong Li, Mingyue Zheng:
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP. J. Cheminformatics 15(1): 76 (2023) - [j32]Yunxia Wang, Zhen Chen, Ziqi Pan, Shijie Huang, Jin Liu, Weiqi Xia, Hongning Zhang, Mingyue Zheng, Honglin Li, Tingjun Hou, Feng Zhu:
RNAincoder: a deep learning-based encoder for RNA and RNA-associated interaction. Nucleic Acids Res. 51(W1): 509-519 (2023) - [j31]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) - [c3]Mingyue Zheng, Wangyong Chen, Yaoyang Lyu, Haifeng Chen, Jiahui Chen, Linlin Cai:
Enhancing Temperature Immunity of Digital Circuit Against Aging : The Standard Cell Subset Method. ASICON 2023: 1-4 - 2022
- [j30]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) - [j29]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) - [j28]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) - [c2]Mingyue Zheng, Jiarui Jin:
Popular Music Production Trend Analysis and Prediction Research. CHIRA 2022: 187-192 - 2021
- [j27]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) - [j26]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) - [j25]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) - [j24]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) - 2020
- [j23]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) - [c1]Shan Liu, Xiaoqing Wu, Mingyue Zheng, Xinqiao Cheng, Ruijing Fang, Pingru Long:
A Realization Framework of International Image Prediction System for Film and TV Works. CISP-BMEI 2020: 580-585
2010 – 2019
- 2019
- [j22]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
- [j21]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
- [j20]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) - [j19]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
- [j18]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) - 2014
- [j17]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) - [j16]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) - [j15]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
- [j14]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) - [j13]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) - 2012
- [j12]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) - [j11]Weihua Li, Jing Fu, Feixiong Cheng, Mingyue Zheng, Jian Zhang, Guixia Liu, Yun Tang:
Unbinding Pathways of GW4064 from Human Farnesoid X Receptor As Revealed by Molecular Dynamics Simulations. J. Chem. Inf. Model. 52(11): 3043-3052 (2012) - 2011
- [j10]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) - [j9]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) - [j8]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) - [j7]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
- [j6]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)
2000 – 2009
- 2009
- [j5]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) - [j4]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) - 2006
- [j3]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) - [j2]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) - [j1]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)
Coauthor Index
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