Huiyong Sun

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 37

Top Venues

Journal of chemical information and modeling

Briefings in bioinformatics

Journal of medicinal chemistry

JACS Au

China Pharmaceutical University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

China Pharmaceutical University

China

Professor (Associate) :: Department of Pharmacy

Zhejiang University

China

PostDoc Fellow :: College of Pharmaceutical Sciences

Publications

Qirui Deng, Zhe Wang, Sutong Xiang, Qinghua Wang, Yifei Liu, Ting-Jun Hou, Huiyong Sun
RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning. Journal of chemical information and modeling (2024)
Qirui Deng, Zhe Wang, Sutong Xiang, Qinghua Wang, Yifei Liu, Ting-Jun Hou, Huiyong Sun
RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning. Journal of chemical information and modeling 64 (16) (2024)
Lingling Wang, Shu Li, Sutong Xiang, Huan-Xiang Liu, Huiyong Sun
Elucidating the Selective Mechanism of Drugs Targeting Cyclin-Dependent Kinases with Integrated MetaD-US Simulation. Journal of chemical information and modeling (2024)
Jingxuan Ge, Shimeng Li, Gaoqi Weng, Huating Wang, Meijing Fang, Huiyong Sun, Yafeng Deng, Chang-Yu Hsieh, Dan Li, Ting-Jun Hou
PROTAC-DB 3.0: an updated database of PROTACs with extended pharmacokinetic parameters. Nucleic acids research (2024)
Nanqi Hong, De-Jun Jiang, Zhe Wang, Huiyong Sun, Hao Luo, Lingjie Bao, Mingli Song, Yu Kang, Ting-Jun Hou
TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides. Journal of chemical information and modeling 64 (13) (2024)
Nanqi Hong, De-Jun Jiang, Zhe Wang, Huiyong Sun, Hao Luo, Lingjie Bao, Mingli Song, Yu Kang, Ting-Jun Hou
TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides. Journal of chemical information and modeling (2024)
Lingling Wang, Lei Xu, Zhe Wang, Ting-Jun Hou, Haiping Hao, Huiyong Sun
Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis. Briefings in bioinformatics 24 (1) (2023)
Rongfan Tang, Zhe Wang, Sutong Xiang, Lingling Wang, Yang Yu, Qinghua Wang, Qirui Deng, Ting-Jun Hou, Huiyong Sun
Uncovering the Kinetic Characteristics and Degradation Preference of PROTAC Systems with Advanced Theoretical Analyses. JACS Au 3 (6) (2023)
Rongfan Tang, Zhe Wang, Sutong Xiang, Lingling Wang, Yang Yu, Qinghua Wang, Qirui Deng, Ting-Jun Hou, Huiyong Sun
Uncovering the Kinetic Characteristics and Degradation Preference of PROTAC Systems with Advanced Theoretical Analyses. JACS Au 3 (6) (2023)
Rongfan Tang, Zhe Wang, Sutong Xiang, Lingling Wang, Yang Yu, Qinghua Wang, Qirui Deng, Ting-Jun Hou, Huiyong Sun
Uncovering the Kinetic Characteristics and Degradation Preference of PROTAC Systems with Advanced Theoretical Analyses. JACS Au 3 (6) (2023)
Jike Wang, Yundian Zeng, Huiyong Sun, Junmei Wang, Xiaorui Wang, Ruofan Jin, Mingyang Wang, Xujun Zhang, Dong-Sheng Cao, Xi Chen, Chang-Yu Hsieh, Ting-Jun Hou
Molecular Generation with Reduced Labeling through Constraint Architecture. Journal of chemical information and modeling (2023)
Sutong Xiang, Zhe Wang, Rongfan Tang, Lingling Wang, Qinghua Wang, Yang Yu, Qirui Deng, Ting-Jun Hou, Haiping Hao, Huiyong Sun
Exhaustively Exploring the Prevalent Interaction Pathways of Ligands Targeting the Ligand-Binding Pocket of Farnesoid X Receptor via Combined Enhanced Sampling. Journal of chemical information and modeling (2023)
Lingling Wang, Lei Xu, Zhe Wang, Ting-Jun Hou, Haiping Hao, Huiyong Sun
Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis. Briefings in bioinformatics 24 (1) (2023)
Lingling Wang, Lei Xu, Zhe Wang, Ting-Jun Hou, Haiping Hao, Huiyong Sun
Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis. Briefings in bioinformatics (2022)
Tianyu Wang, Shi Cai, Yao Cheng, Wanheng Zhang, Minmin Wang, Huiyong Sun, Binghua Guo, Zheng Li, Yibei Xiao, Sheng Jiang
Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation. Journal of medicinal chemistry 65 (5) (2022)
Zhe Wang, Hong Pan, Huiyong Sun, Yu Kang, Huanxiang Liu, Dong-Sheng Cao, Ting-Jun Hou
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation. Briefings in bioinformatics 23 (5) (2022)
Jike Wang, Xiaorui Wang, Huiyong Sun, Mingyang Wang, Yundian Zeng, Dejun Jiang, Zhenxing Wu, Zeyi Liu, Ben Liao, Xiaojun Yao, Chang-Yu Hsieh, Dong-Sheng Cao, Xi Chen, Ting-Jun Hou
ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug Discovery. Journal of medicinal chemistry 65 (18) (2022)
Dejun Jiang, Huiyong Sun, Jike Wang, Chang-Yu Hsieh, Yuquan Li, Zhenxing Wu, Dong-Sheng Cao, Jian Wu, Ting-Jun Hou
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. Briefings in bioinformatics 23 (2) (2022)
Xianglai Liu, Yingying Song, Ao Liu, Yueer Zhou, Qian Zhu, Yetong Lin, Huiyong Sun, Kaidi Zhu, Wei Liu, Yingxia Li, Weijia Xie, Haopeng Sun, Biao Yu, Peng Xu, Wei Li
More than a Leaving Group: N-Phenyltrifluoroacetimidate as a Remote Directing Group for Highly α-Selective 1,2-cis Glycosylation. Angewandte Chemie (International ed. in English) 61 (21) (2022)
Xin Chai, Huiyong Sun, Wenfang Zhou, Changwei Chen, Luhu Shan, Yuhui Yang, Junzhao He, Jinping Pang, Liu Yang, Xinyue Wang, Sunliang Cui, Yaqin Fu, Xiaohong Xu, Lei Xu, Xiaojun Yao, Dan Li, Ting-Jun Hou
Discovery of N -(4-(Benzyloxy)-phenyl)-sulfonamide Derivatives as Novel Antagonists of the Human Androgen Receptor Targeting the Activation Function 2. Journal of medicinal chemistry 65 (3) (2022)
Rongfan Tang, Pengcheng Chen, Zhe Wang, Lingling Wang, Haiping Hao, Ting-Jun Hou, Huiyong Sun
Characterizing the stabilization effects of stabilizers in protein-protein systems with end-point binding free energy calculations. Briefings in bioinformatics 23 (3) (2022)
Qinghua Wang, Zhe Wang, Sheng Tian, Lingling Wang, Rongfan Tang, Yang Yu, Jingxuan Ge, Ting-Jun Hou, Haiping Hao, Huiyong Sun
Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning. Journal of chemical information and modeling 62 (17) (2022)
Dong Wang, Chunmeng Li, Ya Zhu, Yunxia Song, Sheng Lu, Huiyong Sun, Haiping Hao, Xiao-Wei Xu
TEPP-46-Based AIE Fluorescent Probe for Detection and Bioimaging of PKM2 in Living Cells. Analytical chemistry 93 (37) (2021)
Ercheng Wang, Hui Liu, Junmei Wang, Gaoqi Weng, Huiyong Sun, Zhe Wang, Yu Kang, Ting-Jun Hou
Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities. Journal of chemical information and modeling 60 (11) (2020)
Zhe Wang, Huiyong Sun, Chao Shen, Xueping Hu, Junbo Gao, Dan Li, Dong-Sheng Cao, Ting-Jun Hou
Combined strategies in structure-based virtual screening. Physical chemistry chemical physics : PCCP 22 (6) (2020)
Ye Jin, Mojie Duan, Xuwen Wang, Xiaotian Kong, Wenfang Zhou, Huiyong Sun, Hui Liu, Dan Li, Huidong Yu, Youyong Li, Ting-Jun Hou
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations. Journal of chemical information and modeling 59 (2) (2019)
Ercheng Wang, Gaoqi Weng, Huiyong Sun, Hongyan Du, Jian Zhang, Fu Chen, Zhe Wang, Ting-Jun Hou
Assessing the performance of the MM/PBSA and MM/GBSA methods. 10. Impacts of enhanced sampling and variable dielectric model on protein-protein Interactions. Physical chemistry chemical physics : PCCP 21 (35) (2019)
Xiaotian Kong, Peichen Pan, Huiyong Sun, Hongguang Xia, Xuwen Wang, Youyong Li, Ting-Jun Hou
Drug Discovery Targeting Anaplastic Lymphoma Kinase (ALK). Journal of medicinal chemistry 62 (24) (2019)
Ercheng Wang, Huiyong Sun, Junmei Wang, Zhe Wang, Hui Liu, John Zenghui Zhang, Ting-Jun Hou
End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design. Chemical reviews 119 (16) (2019)
Peichen Pan, Jiean Chen, Xijian Li, Miyang Li, Huidong Yu, Jean J Zhao, Jing Ni, Xuwen Wang, Huiyong Sun, Sheng Tian, Jian Zhang, Feng Liu, Yong Huang, Ting-Jun Hou
Structure-Based Drug Design and Identification of H2O-Soluble and Low Toxic Hexacyclic Camptothecin Derivatives with Improved Efficacy in Cancer and Lethal Inflammation Models in Vivo. Journal of medicinal chemistry 61 (19) (2018)
Zhe Wang, Yu Kang, Dan Li, Huiyong Sun, Xiaowu Dong, Xiao-Jun Yao, Lei Xu, Shan Chang, Youyong Li, Ting-Jun Hou
Benchmark Study Based on 2P2IDB to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors. The journal of physical chemistry. B 122 (9) (2018)
Jun Shang, Ben Hu, Junmei Wang, Jian Zhang, Yu Kang, Dan Li, Huiyong Sun, De-Xin Kong, Ting-Jun Hou
Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products. Journal of chemical information and modeling 58 (6) (2018)
Na Liu, Wenfang Zhou, Yue Guo, Junmei Wang, Weitao Fu, Huiyong Sun, Dan Li, Mojie Duan, Tingjun Hou
Molecular Dynamics Simulations Revealed the Regulation of Ligands to the Interactions between Androgen Receptor and Its Coactivator. Journal of chemical information and modeling 58 (8) (2018)
Tailong Lei, Fu Chen, Hui Liu, Huiyong Sun, Yu Kang, Dan Li, Youyong Li, Ting-Jun Hou
ADMET Evaluation in Drug Discovery. Part 17: Development of Quantitative and Qualitative Prediction Models for Chemical-Induced Respiratory Toxicity. Molecular pharmaceutics 14 (7) (2017)
Xiaotian Kong, Huiyong Sun, Peichen Pan, Dan Li, Feng Zhu, Shan Chang, Lei Xu, Youyong Li, Tingjun Hou
How Does the L884P Mutation Confer Resistance to Type-II Inhibitors of JAK2 Kinase: A Comprehensive Molecular Modeling Study. Scientific reports 7 (1) (2017)
Huiyong Sun, Youyong Li, Mingyun Shen, Dan Li, Yu Kang, Ting-Jun Hou
Characterizing Drug-Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches. Journal of chemical information and modeling 57 (8) (2017)
Tailong Lei, Huiyong Sun, Yu Kang, Feng Zhu, Hui Liu, Wenfang Zhou, Zhe Wang, Dan Li, Youyong Li, Ting-Jun Hou
ADMET Evaluation in Drug Discovery. 18. Reliable Prediction of Chemical-Induced Urinary Tract Toxicity by Boosting Machine Learning Approaches. Molecular pharmaceutics 14 (11) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Huiyong Sun