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ORCIDHuiyong Sun
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2020 – today
- 2024
[j32]Nanqi Hong, Dejun Jiang
, Zhe Wang, Huiyong Sun, Hao Luo, Lingjie Bao, Mingli Song, Yu Kang, Tingjun Hou:
TransfIGN: A Structure-Based Deep Learning Method for Modeling the Interaction between HLA-A*02:01 and Antigen Peptides. J. Chem. Inf. Model. 64(13): 5016-5027 (2024)- [j31]Qirui Deng, Zhe Wang, Sutong Xiang, Qinghua Wang, Yifei Liu, Tingjun Hou, Huiyong Sun:
RLpMIEC: High-Affinity Peptide Generation Targeting Major Histocompatibility Complex-I Guided and Interpreted by Interaction Spectrum-Navigated Reinforcement Learning. J. Chem. Inf. Model. 64(16): 6432-6449 (2024) - [j30]Lingling Wang, Shu Li, Sutong Xiang, Huanxiang Liu, Huiyong Sun:
Elucidating the Selective Mechanism of Drugs Targeting Cyclin-Dependent Kinases with Integrated MetaD-US Simulation. J. Chem. Inf. Model. 64(17): 6899-6911 (2024) - 2023
- [j29]Lingling Wang, Lei Xu, Zhe Wang, Tingjun Hou, Haiping Hao, Huiyong Sun:
Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis. Briefings Bioinform. 24(1) (2023) - [j28]Jike Wang, Yundian Zeng, Huiyong Sun, Junmei Wang, Xiaorui Wang, Ruofan Jin, Mingyang Wang, Xujun Zhang, Dong-Sheng Cao, Xi Chen, Chang-Yu Hsieh, Tingjun Hou:
Molecular Generation with Reduced Labeling through Constraint Architecture. J. Chem. Inf. Model. 63(11): 3319-3327 (2023) - [j27]Sutong Xiang, Zhe Wang, Rongfan Tang, Lingling Wang, Qinghua Wang, Yang Yu, Qirui Deng, Tingjun 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. J. Chem. Inf. Model. 63(23): 7529-7544 (2023) - 2022
- [j26]Mingyang Wang, Huiyong Sun, Jike Wang, Jinping Pang, Xin Chai, Lei Xu, Honglin Li, Dongsheng Cao, Tingjun Hou:
Comprehensive assessment of deep generative architectures for de novo drug design. Briefings Bioinform. 23(1) (2022) - [j25]Dejun Jiang, Huiyong Sun, Jike Wang, Chang-Yu Hsieh, Yuquan Li, Zhenxing Wu, Dong-Sheng Cao, Jian Wu, Tingjun Hou:
Out-of-the-box deep learning prediction of quantum-mechanical partial charges by graph representation and transfer learning. Briefings Bioinform. 23(2) (2022) - [j24]Rongfan Tang, Pengcheng Chen, Zhe Wang, Lingling Wang, Haiping Hao, Tingjun Hou, Huiyong Sun:
Characterizing the stabilization effects of stabilizers in protein-protein systems with end-point binding free energy calculations. Briefings Bioinform. 23(3) (2022) - [j23]Zhe Wang, Hong Pan, Huiyong Sun, Yu Kang, Huanxiang Liu, Dongsheng Cao, Tingjun Hou:
fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation. Briefings Bioinform. 23(5) (2022) - [j22]Lei Jia, Lingling Wang, Yingmin Jiang, Lei Xu, Yanfei Cai, Yun Chen, Jian Jin, Huiyong Sun, Jingyu Zhu:
Exploring PI3Kγ binding preference with Eganelisib, Duvelisib, and Idelalisib via energetic, pharmacophore and dissociation pathway analyses. Comput. Biol. Medicine 147: 105642 (2022) - [j21]Yang Yu, Zhe Wang, Lingling Wang, Sheng Tian, Tingjun Hou, Huiyong Sun:
Predicting the mutation effects of protein-ligand interactions via end-point binding free energy calculations: strategies and analyses. J. Cheminformatics 14(1): 56 (2022) - [j20]Qinghua Wang, Zhe Wang, Sheng Tian, Lingling Wang, Rongfan Tang, Yang Yu, Jingxuan Ge, Tingjun 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. J. Chem. Inf. Model. 62(17): 3993-4007 (2022) - [c2]Huiyong Sun, Yuxiang Jia, Xiaojing Du, Shuai Cao, Hongying Zan:
Building a Corpus for Chinese Causality Extraction in Futures Domain. CLSW (2) 2022: 302-314 - 2021
- [j19]Jike Wang, Dong-Sheng Cao, Cunchen Tang, Lei Xu, Qiaojun He, Bo Yang, Xi Chen, Huiyong Sun, Tingjun Hou:
DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges. Briefings Bioinform. 22(3) (2021) - [j18]Jike Wang, Huiyong Sun, Jiawen Chen, Dejun Jiang, Zhe Wang, Zhenxing Wu, Xi Chen, Dong-Sheng Cao, Tingjun Hou:
DeepChargePredictor: a web server for predicting QM-based atomic charges via state-of-the-art machine-learning algorithms. Bioinform. 37(22): 4255-4257 (2021) - [j17]Ercheng Wang, Weitao Fu, Dejun Jiang, Huiyong Sun, Junmei Wang, Xujun Zhang, Gaoqi Weng, Hui Liu, Peng Tao, Tingjun Hou:
VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein-Ligand Binding Free Energy Calculations. J. Chem. Inf. Model. 61(6): 2844-2856 (2021) - [c1]Yuxiang Jia, Le Kang, Huiyong Sun, Xiaojing Du, Shuai Cao, Hongying Zan, Fang Li:
Causality Extraction in Futures Domain. IALP 2021: 111-116 - 2020
- [j16]Jike Wang, Dong-Sheng Cao, Cunchen Tang, Xi Chen, Huiyong Sun, Tingjun Hou:
Fast and accurate prediction of partial charges using Atom-Path-Descriptor-based machine learning. Bioinform. 36(18): 4721-4728 (2020) - [j15]Ercheng Wang, Hui Liu, Junmei Wang, Gaoqi Weng, Huiyong Sun, Zhe Wang, Yu Kang, Tingjun Hou:
Development and Evaluation of MM/GBSA Based on a Variable Dielectric GB Model for Predicting Protein-Ligand Binding Affinities. J. Chem. Inf. Model. 60(11): 5353-5365 (2020)
2010 – 2019
- 2019
- [j14]Ye Jin, Mojie Duan, Xuwen Wang, Xiaotian Kong, Wenfang Zhou, Huiyong Sun, Hui Liu, Dan Li, Huidong Yu, Youyong Li, Tingjun Hou:
Communication between the Ligand-Binding Pocket and the Activation Function-2 Domain of Androgen Receptor Revealed by Molecular Dynamics Simulations. J. Chem. Inf. Model. 59(2): 842-857 (2019) - 2018
- [j13]Wenfang Zhou, Mojie Duan, Weitao Fu, Jinping Pang, Qin Tang, Huiyong Sun, Lei Xu, Shan Chang, Dan Li, Tingjun Hou:
Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays. Genom. Proteom. Bioinform. 16(6): 416-427 (2018) - [j12]Jun Shang, Ben Hu, Junmei Wang, Feng Zhu, Yu Kang, Dan Li, Huiyong Sun, De-Xin Kong, Tingjun Hou:
Cheminformatic Insight into the Differences between Terrestrial and Marine Originated Natural Products. J. Chem. Inf. Model. 58(6): 1182-1193 (2018) - [j11]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. J. Chem. Inf. Model. 58(8): 1652-1661 (2018) - 2017
- [j10]Jun Shang, Huiyong Sun, Hui Liu, Fu Chen, Sheng Tian, Peichen Pan, Dan Li, De-Xin Kong, Tingjun Hou:
Comparative analyses of structural features and scaffold diversity for purchasable compound libraries. J. Cheminformatics 9(1): 25:1-25:16 (2017) - [j9]Ting Feng, Fu Chen, Yu Kang, Huiyong Sun, Hui Liu, Dan Li, Feng Zhu, Tingjun Hou:
HawkRank: a new scoring function for protein-protein docking based on weighted energy terms. J. Cheminformatics 9(1): 66:1-66:15 (2017) - [j8]Huiyong Sun, Youyong Li, Mingyun Shen, Dan Li, Yu Kang, Tingjun Hou:
Characterizing Drug-Target Residence Time with Metadynamics: How To Achieve Dissociation Rate Efficiently without Losing Accuracy against Time-Consuming Approaches. J. Chem. Inf. Model. 57(8): 1895-1906 (2017) - 2016
- [j7]Tailong Lei, Youyong Li, Yunlong Song, Dan Li, Huiyong Sun, Tingjun Hou:
ADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modeling. J. Cheminformatics 8(1): 6:1-6:19 (2016) - 2015
- [j6]Peichen Pan, Sheng Tian, Huiyong Sun, Xiaotian Kong, Wenfang Zhou, Dan Li, Youyong Li, Tingjun Hou:
Identification and Preliminary SAR Analysis of Novel Type-I Inhibitors of TIE-2 via Structure-Based Virtual Screening and Biological Evaluation in in vitro Models. J. Chem. Inf. Model. 55(12): 2693-2704 (2015) - 2014
- [j5]Sheng Tian, Huiyong Sun, Peichen Pan, Dan Li, Xuechu Zhen, Youyong Li, Tingjun Hou:
Assessing an Ensemble Docking-Based Virtual Screening Strategy for Kinase Targets by Considering Protein Flexibility. J. Chem. Inf. Model. 54(10): 2664-2679 (2014) - [j4]Huiyong Sun, Youyong Li, Sheng Tian, Junmei Wang, Tingjun Hou:
P-loop Conformation Governed Crizotinib Resistance in G2032R-Mutated ROS1 Tyrosine Kinase: Clues from Free Energy Landscape. PLoS Comput. Biol. 10(7) (2014) - 2013
- [j3]Peichen Pan, Youyong Li, Huidong Yu, Huiyong Sun, Tingjun Hou:
Molecular Principle of Topotecan Resistance by Topoisomerase I Mutations through Molecular Modeling Approaches. J. Chem. Inf. Model. 53(4): 997-1006 (2013) - [j2]Huiyong Sun, Youyong Li, Dan Li, Tingjun Hou:
Insight into Crizotinib Resistance Mechanisms Caused by Three Mutations in ALK Tyrosine Kinase using Free Energy Calculation Approaches. J. Chem. Inf. Model. 53(9): 2376-2389 (2013) - [j1]Sheng Tian, Huiyong Sun, Youyong Li, Peichen Pan, Dan Li, Tingjun Hou:
Development and Evaluation of an Integrated Virtual Screening Strategy by Combining Molecular Docking and Pharmacophore Searching Based on Multiple Protein Structures. J. Chem. Inf. Model. 53(10): 2743-2756 (2013)
Coauthor Index
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