Jun Xu

According to our database, Jun Xu authored at least 30 papers between 2011 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

FerroLigandDB: A Ferroptosis Ligand Database of Structure-Activity Relations.

Yating Lin, Jun Xu, Qiong Gu

J. Chem. Inf. Model., 2024

dMXP: A <i>De Novo</i> Small-Molecule 3D Structure Predictor with Graph Attention Networks.

Haopeng Ai, Deyin Wu, Huihao Zhou, Jun Xu, Qiong Gu

J. Chem. Inf. Model., 2024

2022

Glycerol is Released from a New Path in MGL Lipase Catalytic Process.

Dongming Lan, Shu Li, Wei Tang, Zexin Zhao, Mupeng Luo, Shuguang Yuan, Jun Xu, Yonghua Wang

J. Chem. Inf. Model., 2022

2021

Kinase Inhibitor Scaffold Hopping with Deep Learning Approaches.

Lizhao Hu, Yuyao Yang, Shuangjia Zheng, Jun Xu, Ting Ran, Hongming Chen

J. Chem. Inf. Model., 2021

2020

Perspectives on Supercomputing and Artificial Intelligence Applications in Drug Discovery.

Jun Xu, Jiming Ye

Supercomput. Front. Innov., 2020

Publisher Correction: Predicting drug-protein interaction using quasi-visual question answering system.

Shuangjia Zheng, Yongjian Li, Sheng Chen, Jun Xu, Yuedong Yang

Nat. Mach. Intell., 2020

Predicting drug-protein interaction using quasi-visual question answering system.

Shuangjia Zheng, Yongjian Li, Sheng Chen, Jun Xu, Yuedong Yang

Nat. Mach. Intell., 2020

Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks.

Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang

J. Chem. Inf. Model., 2020

Predicting the Feasibility of Copper(I)-Catalyzed Alkyne-Azide Cycloaddition Reactions Using a Recurrent Neural Network with a Self-Attention Mechanism.

Shimin Su, Yuyao Yang, Hanlin Gan, Shuangjia Zheng, Fenglong Gu, Chao Zhao, Jun Xu

J. Chem. Inf. Model., 2020

2019

Identifying Structure-Property Relationships through SMILES Syntax Analysis with Self-Attention Mechanism.

Shuangjia Zheng, Xin Yan, Yuedong Yang, Jun Xu

J. Chem. Inf. Model., 2019

DeepChemStable: Chemical Stability Prediction with an Attention-Based Graph Convolution Network.

Xiuming Li, Xin Yan, Qiong Gu, Huihao Zhou, Di Wu, Jun Xu

J. Chem. Inf. Model., 2019

Structurally Selective Mechanism of Liver X Receptor Ligand: In Silico and In Vitro Studies.

Peng Ding, Ziyang Chen, Hao Chen, Zizhen Zhang, Zhihong Liu, Xin Yan, Huihao Zhou, Qiong Gu, Chanjuan Li, Jun Xu

J. Chem. Inf. Model., 2019

QBMG: quasi-biogenic molecule generator with deep recurrent neural network.

Shuangjia Zheng, Xin Yan, Qiong Gu, Yuedong Yang, Yunfei Du, Yutong Lu, Jun Xu

J. Cheminformatics, 2019

Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks.

Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang

CoRR, 2019

2018

TCMAnalyzer: A Chemo- and Bioinformatics Web Service for Analyzing Traditional Chinese Medicine.

Zhihong Liu, Jiewen Du, Xin Yan, Jiali Zhong, Lu Cui, Jinyuan Lin, Lizhu Zeng, Peng Ding, Pin Chen, Xinxin Zhou, Huihao Zhou, Qiong Gu, Jun Xu

J. Chem. Inf. Model., 2018

Discovering new PI3Kα inhibitors with a strategy of combining ligand-based and structure-based virtual screening.

Miao Yu, Qiong Gu, Jun Xu

J. Comput. Aided Mol. Des., 2018

HHVSF: A Framework to Accelerate Drug-Based High-Throughput Virtual Screening on High-Performance Computers.

Pin Chen, Xin Yan, Jiahui Li, Yunfei Du, Jun Xu

Proceedings of the Supercomputing Frontiers - 4th Asian Conference, 2018

2017

Predicting DPP-IV inhibitors with machine learning approaches.

Jie Cai, Chanjuan Li, Zhihong Liu, Jiewen Du, Jiming Ye, Qiong Gu, Jun Xu

J. Comput. Aided Mol. Des., 2017

PTS: a pharmaceutical target seeker.

Peng Ding, Xin Yan, Zhihong Liu, Jiewen Du, Yunfei Du, Yutong Lu, Di Wu, Yuehua Xu, Huihao Zhou, Qiong Gu, Jun Xu

Database J. Biol. Databases Curation, 2017

2016

ASDB: a resource for probing protein functions with small molecules.

Zhihong Liu, Peng Ding, Xin Yan, Minghao Zheng, Huihao Zhou, Yuehua Xu, Yunfei Du, Qiong Gu, Jun Xu

Bioinform., 2016

2015

Discovering New Acetylcholinesterase Inhibitors by Mining the <i>Buzhongyiqi</i> Decoction Recipe Data.

Lu Cui, Yu Wang, Zhihong Liu, Hongzhuan Chen, Hao Wang, Xinxin Zhou, Jun Xu

J. Chem. Inf. Model., 2015

2014

Discovering New Agents Active against Methicillin-Resistant <i>Staphylococcus aureus</i> with Ligand-Based Approaches.

Ling Wang, Xiu Le, Long Li, Yingchen Ju, Zhongxiang Lin, Qiong Gu, Jun Xu

J. Chem. Inf. Model., 2014

gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.

Xin Yan, Jiabo Li, Qiong Gu, Jun Xu

J. Comput. Chem., 2014

ChemStable: a web server for rule-embedded naïve Bayesian learning approach to predict compound stability.

Zhihong Liu, Minghao Zheng, Xin Yan, Qiong Gu, Johann Gasteiger, Johan Tijhuis, Peter Maas, Jiabo Li, Jun Xu

J. Comput. Aided Mol. Des., 2014

2013

Enhancing Molecular Shape Comparison by Weighted Gaussian Functions.

Xin Yan, Jiabo Li, Zhihong Liu, Minghao Zheng, Hu Ge, Jun Xu

J. Chem. Inf. Model., 2013

Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations.

Ling Wang, Qiong Gu, Xuehua Zheng, Jiming Ye, Zhihong Liu, Jiabo Li, Xiaopeng Hu, Arnold T. Hagler, Jun Xu

J. Chem. Inf. Model., 2013

Molecular Dynamics-Based Virtual Screening: Accelerating the Drug Discovery Process by High-Performance Computing.

Hu Ge, Yu Wang, Chanjuan Li, Nanhao Chen, Yufang Xie, Mengyan Xu, Yingyan He, Xinchun Gu, Ruibo Wu, Qiong Gu, Liang Zeng, Jun Xu

J. Chem. Inf. Model., 2013

2012

On the Value of Homology Models for Virtual Screening: Discovering hCXCR3 Antagonists by Pharmacophore-Based and Structure-Based Approaches.

Dane Huang, Qiong Gu, Hu Ge, Jiming Ye, Noeris K. Salam, Arnold T. Hagler, Hongzhuan Chen, Jun Xu

J. Chem. Inf. Model., 2012

2011

Three-Dimensional Pharmacophore Modeling of Liver-X Receptor Agonists.

Wenxia Zhao, Qiong Gu, Ling Wang, Hu Ge, Jiabo Li, Jun Xu

J. Chem. Inf. Model., 2011

A New Protocol for Predicting Novel GSK-3β ATP Competitive Inhibitors.

Jiansong Fang, Dane Huang, Wenxia Zhao, Hu Ge, Hai-Bin Luo, Jun Xu

J. Chem. Inf. Model., 2011