Huan-Xiang Liu (Huanxiang Liu)

Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 60

Top Topics

Top Venues

International journal of molecular sciences

ACS chemical neuroscience

Journal of chemical information and modeling

Briefings in bioinformatics

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

Publications

Yibo Zhu, Xingyu Mou, Yingjie Song, Qianqian Zhang, Bo Sun, Huan-Xiang Liu, Hong Tang, Rui Bao
Molecular mechanism of the one-component regulator RccR on bacterial metabolism and virulence. Nucleic acids research 52 (6) (2024)
Yunhao Ma, Hongmei Zhu, Xinrong Jiang, Zhongkun Zhou, Yong Zhou, Yanan Tian, Lixue Tu, Juan Lu, Yuqing Niu, Liqian Du, Zhenzhen Si, Hong Fang, Huan-Xiang Liu, Ying-Qian Liu, Peng Chen
Synthesis and Biological Activity of 2-Chloro-8-methoxy-5-methyl-5 H -indolo [2,3- b ] Quinoline for the Treatment of Colorectal Cancer by Modulating PI3K/AKT/mTOR Pathways. ACS omega 9 (28) (2024)
Shukai Gu, Yuwei Yang, Yihao Zhao, Jiayue Qiu, Xiaorui Wang, Henry Hoi Yee Tong, Liwei Liu, Xiaozhe Wan, Huan-Xiang Liu, Ting-Jun Hou, Yu Kang
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. Journal of chemical information and modeling (2024)
Shuo Liu, Jialiang Yu, Ningxi Ni, Zidong Wang, Mengyun Chen, Yuquan Li, Chen Xu, Yahao Ding, Jun Zhang, Xiaojun Yao, Huan-Xiang Liu
Versatile Framework for Drug-Target Interaction Prediction by Considering Domain-Specific Features. Journal of chemical information and modeling (2024)
Shukai Gu, Yuwei Yang, Yihao Zhao, Jiayue Qiu, Xiaorui Wang, Henry Hoi Yee Tong, Liwei Liu, Xiaozhe Wan, Huan-Xiang Liu, Ting-Jun Hou, Yu Kang
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. Journal of chemical information and modeling 64 (9) (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)
Yibo Zhu, Xingyu Mou, Yingjie Song, Qianqian Zhang, Bo Sun, Huan-Xiang Liu, Hong Tang, Rui Bao
Molecular mechanism of the one-component regulator RccR on bacterial metabolism and virulence. Nucleic acids research 52 (6) (2024)
Linyan Yao, Biyang Ling, Sha Zhao, Fansen Yu, Huan-Xiang Liu, Shenlin Wang, Jianxi Xiao
Versatile Self-Assembly of Triblock Peptides into Stable Collagen Mimetic Heterotrimers. International journal of molecular sciences 25 (12) (2024)
Yibo Zhu, Xingyu Mou, Yingjie Song, Qianqian Zhang, Bo Sun, Huan-Xiang Liu, Hong Tang, Rui Bao
Molecular mechanism of the one-component regulator RccR on bacterial metabolism and virulence. Nucleic acids research (2024)
Linyan Yao, Biyang Ling, Sha Zhao, Fansen Yu, Huan-Xiang Liu, Shenlin Wang, Jianxi Xiao
Versatile Self-Assembly of Triblock Peptides into Stable Collagen Mimetic Heterotrimers. International journal of molecular sciences 25 (12) (2024)
Linyan Yao, Biyang Ling, Sha Zhao, Fansen Yu, Huan-Xiang Liu, Shenlin Wang, Jianxi Xiao
Versatile Self-Assembly of Triblock Peptides into Stable Collagen Mimetic Heterotrimers. International journal of molecular sciences 25 (12) (2024)
Yunhao Ma, Hongmei Zhu, Xinrong Jiang, Zhongkun Zhou, Yong Zhou, Yanan Tian, Lixue Tu, Juan Lu, Yuqing Niu, Liqian Du, Zhenzhen Si, Hong Fang, Huan-Xiang Liu, Ying-Qian Liu, Peng Chen
Synthesis and Biological Activity of 2-Chloro-8-methoxy-5-methyl-5 H -indolo [2,3- b ] Quinoline for the Treatment of Colorectal Cancer by Modulating PI3K/AKT/mTOR Pathways. ACS omega 9 (28) (2024)
Xiaofei Qiu, Qianqian Zhang, Zhaoguo Li, Juan Zhang, Huan-Xiang Liu
Revealing the Interaction Mechanism between Mycobacterium tuberculosis GyrB and Novobiocin, SPR719 through Binding Thermodynamics and Dissociation Kinetics Analysis. International journal of molecular sciences 25 (7) (2024)
Xiaofei Qiu, Qianqian Zhang, Zhaoguo Li, Juan Zhang, Huan-Xiang Liu
Revealing the Interaction Mechanism between Mycobacterium tuberculosis GyrB and Novobiocin, SPR719 through Binding Thermodynamics and Dissociation Kinetics Analysis. International journal of molecular sciences 25 (7) (2024)
Yibo Zhu, Xingyu Mou, Yingjie Song, Qianqian Zhang, Bo Sun, Huan-Xiang Liu, Hong Tang, Rui Bao
Molecular mechanism of the one-component regulator RccR on bacterial metabolism and virulence. Nucleic acids research 52 (6) (2024)
Shuo Liu, Jialiang Yu, Ningxi Ni, Zidong Wang, Mengyun Chen, Yuquan Li, Chen Xu, Yahao Ding, Jun Zhang, Xiaojun Yao, Huan-Xiang Liu
Versatile Framework for Drug-Target Interaction Prediction by Considering Domain-Specific Features. Journal of chemical information and modeling 64 (14) (2024)
Shukai Gu, Yuwei Yang, Yihao Zhao, Jiayue Qiu, Xiaorui Wang, Henry Hoi Yee Tong, Liwei Liu, Xiaozhe Wan, Huan-Xiang Liu, Ting-Jun Hou, Yu Kang
Evaluation of AlphaFold2 Structures for Hit Identification across Multiple Scenarios. Journal of chemical information and modeling 64 (9) (2024)
Xiaofei Qiu, Qianqian Zhang, Zhaoguo Li, Juan Zhang, Huan-Xiang Liu
Revealing the Interaction Mechanism between Mycobacterium tuberculosis GyrB and Novobiocin, SPR719 through Binding Thermodynamics and Dissociation Kinetics Analysis. International journal of molecular sciences 25 (7) (2024)
Xiaofei Qiu, Qianqian Zhang, Zhaoguo Li, Juan Zhang, Huan-Xiang Liu
Revealing the Interaction Mechanism between Mycobacterium tuberculosis GyrB and Novobiocin, SPR719 through Binding Thermodynamics and Dissociation Kinetics Analysis. International journal of molecular sciences 25 (7) (2024)
Yuan-Qin Huang, Ping Sun, Yi Chen, Huan-Xiang Liu, Ge-Fei Hao, Bao-An Song
Bioinformatics toolbox for exploring target mutation-induced drug resistance. Briefings in bioinformatics 24 (2) (2023)
Nannan Zhao, Qianqian Zhang, Fansen Yu, Xiaojun Yao, Huan-Xiang Liu
The α-Synuclein Monomer May Have Different Misfolding Mechanisms in the Induction of α-Synuclein Fibrils with Different Polymorphs. Biomolecules 13 (4) (2023)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huan-Xiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings in bioinformatics 24 (1) (2023)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huan-Xiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings in bioinformatics 24 (1) (2023)
Fengling Wang, Wenling Ye, Yongxing He, Haiyang Zhong, Yongchang Zhu, Jianting Han, Xiaoqing Gong, Yanan Tian, Yu-Wei Wang, Shuang Wang, Shaoping Ji, Huan-Xiang Liu, Xiaojun Yao
Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction. International journal of molecular sciences 24 (4) (2023)
Fengling Wang, Wenling Ye, Yongxing He, Haiyang Zhong, Yongchang Zhu, Jianting Han, Xiaoqing Gong, Yanan Tian, Yu-Wei Wang, Shuang Wang, Shaoping Ji, Huan-Xiang Liu, Xiaojun Yao
Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction. International journal of molecular sciences 24 (4) (2023)
Yunhao Ma, Hongmei Zhu, Xinrong Jiang, Zhongkun Zhou, Yong Zhou, Yanan Tian, Hao Zhang, Mengze Sun, Lixue Tu, Juan Lu, Yuqing Niu, Huan-Xiang Liu, Yingqian Liu, Peng Chen
Biological Evaluation of 8-Methoxy-2,5-dimethyl-5H-indolo[2,3-b] Quinoline as a Potential Antitumor Agent via PI3K/AKT/mTOR Signaling. International journal of molecular sciences 24 (20) (2023)
Shukai Gu, Chao Shen, Jiahui Yu, Hong Zhao, Huan-Xiang Liu, Liwei Liu, Rong Sheng, Lei Xu, Zhe Wang, Ting-Jun Hou, Yu Kang
Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning? Briefings in bioinformatics (2023)
Fengling Wang, Wenling Ye, Yongxing He, Haiyang Zhong, Yongchang Zhu, Jianting Han, Xiaoqing Gong, Yanan Tian, Yu-Wei Wang, Shuang Wang, Shaoping Ji, Huan-Xiang Liu, Xiaojun Yao
Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction. International journal of molecular sciences 24 (4) (2023)
Shukai Gu, Chao Shen, Jiahui Yu, Hong Zhao, Huan-Xiang Liu, Liwei Liu, Rong Sheng, Lei Xu, Zhe Wang, Ting-Jun Hou, Yu Kang
Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning? Briefings in bioinformatics 24 (2) (2023)
Fengling Wang, Wenling Ye, Yongxing He, Haiyang Zhong, Yongchang Zhu, Jianting Han, Xiaoqing Gong, Yanan Tian, Yu-Wei Wang, Shuang Wang, Shaoping Ji, Huan-Xiang Liu, Xiaojun Yao
Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction. International journal of molecular sciences 24 (4) (2023)
Zhe Wang, Haiyang Zhong, Jintu Zhang, Peichen Pan, Dong Wang, Huan-Xiang Liu, Xiao-Jun Yao, Ting-Jun Hou, Yu Kang
Small-Molecule Conformer Generators: Evaluation of Traditional Methods and AI Models on High-Quality Data Sets. Journal of chemical information and modeling (2023)
Nannan Zhao, Qianqian Zhang, Fansen Yu, Xiaojun Yao, Huan-Xiang Liu
The α-Synuclein Monomer May Have Different Misfolding Mechanisms in the Induction of α-Synuclein Fibrils with Different Polymorphs. Biomolecules 13 (4) (2023)
Syed Jawad Ali Shah, Qianqian Zhang, Jingjing Guo, Hongli Liu, Huan-Xiang Liu, Jordi Villà-Freixa
Identification of Aggregation Mechanism of Acetylated PHF6* and PHF6 Tau Peptides Based on Molecular Dynamics Simulations and Markov State Modeling. ACS chemical neuroscience (2023)
Jieyu Jin, Dong Wang, Guqin Shi, Jingxiao Bao, Jike Wang, Haotian Zhang, Peichen Pan, Dan Li, Xiao-Jun Yao, Huan-Xiang Liu, Ting-Jun Hou, Yu Kang
FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization. Journal of medicinal chemistry (2023)
Shuoyan Tan, Jun Wang, Peng Gao, Guotong Xie, Qianqian Zhang, Huan-Xiang Liu, Xiao-Jun Yao
Unveiling the Selectivity Mechanism of Type-I LRRK2 Inhibitors by Computational Methods: Insights from Binding Thermodynamics and Kinetics Simulation. ACS chemical neuroscience (2023)
Nannan Zhao, Qianqian Zhang, Fansen Yu, Xiaojun Yao, Huan-Xiang Liu
The α-Synuclein Monomer May Have Different Misfolding Mechanisms in the Induction of α-Synuclein Fibrils with Different Polymorphs. Biomolecules 13 (4) (2023)
Fengling Wang, Wenling Ye, Yongxing He, Haiyang Zhong, Yongchang Zhu, Jianting Han, Xiaoqing Gong, Yanan Tian, Yu-Wei Wang, Shuang Wang, Shaoping Ji, Huan-Xiang Liu, Xiaojun Yao
Identification of CBPA as a New Inhibitor of PD-1/PD-L1 Interaction. International journal of molecular sciences 24 (4) (2023)
Yuan-Qin Huang, Ping Sun, Yi Chen, Huan-Xiang Liu, Ge-Fei Hao, Bao-An Song
Bioinformatics toolbox for exploring target mutation-induced drug resistance. Briefings in bioinformatics (2023)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huan-Xiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings in bioinformatics 24 (1) (2023)
Yanan Tian, Xiaorui Wang, Xiaojun Yao, Huan-Xiang Liu, Ying Yang
Predicting molecular properties based on the interpretable graph neural network with multistep focus mechanism. Briefings in bioinformatics (2022)
Yuwei Yang, Zhenxing Wu, Xiao-Jun Yao, Yu Kang, Ting-Jun Hou, Chang-Yu Hsieh, Huan-Xiang Liu
Exploring Low-Toxicity Chemical Space with Deep Learning for Molecular Generation. Journal of chemical information and modeling 62 (13) (2022)
Qianqian Zhang, Jianting Han, Yongchang Zhu, Shuoyan Tan, Huan-Xiang Liu
Binding Thermodynamics and Dissociation Kinetics Analysis Uncover the Key Structural Motifs of Phenoxyphenol Derivatives as the Direct InhA Inhibitors and the Hotspot Residues of InhA. International journal of molecular sciences 23 (17) (2022)
Shuoyan Tan, Qianqian Zhang, Jun Wang, Peng Gao, Guotong Xie, Huan-Xiang Liu, Xiao-Jun Yao
Molecular Modeling Study on the Interaction Mechanism between the LRRK2 G2019S Mutant and Type I Inhibitors by Integrating Molecular Dynamics Simulation, Binding Free Energy Calculations, and Pharmacophore Modeling. ACS chemical neuroscience 13 (5) (2022)
Kangjia Du, Chengjie Yang, Zhongkun Zhou, Yunhao Ma, Yanan Tian, Rentao Zhang, Hao Zhang, Xinrong Jiang, Hongmei Zhu, Huan-Xiang Liu, Peng Chen, Yingqian Liu
A Novel Isaindigotone Derivative Displays Better Anti-Proliferation Activities and Induces Apoptosis in Gastric Cancer Cells. International journal of molecular sciences 23 (14) (2022)
Yun-Hao Ma, Wan-Tong Ma, Zhong-Kun Zhou, Xiu Huang, Xin-Rong Jiang, Kang-Jia Du, Meng-Ze Sun, Hao Zhang, Hong Fang, Yi Zhao, Hong-Mei Zhu, Huan-Xiang Liu, Peng Chen, Ying-Qian Liu
Synthesis of 8-Fluoroneocryptolepine and Evaluation for Cytotoxic Activity against AGS Cancer Cells. Journal of natural products 85 (4) (2022)
Yun-Hao Ma, Yanan Tian, Zhongkun Zhou, Shude Chen, Kangjia Du, Hao Zhang, Xinrong Jiang, Juan Lu, Yuqing Niu, Lixue Tu, Jie Wang, Huan-Xiang Liu, Hongmei Zhu, Peng Chen, Yingqian Liu
Design, Synthesis and Biological Evaluation of Neocryptolepine Derivatives as Potential Anti-Gastric Cancer Agents. International journal of molecular sciences 23 (19) (2022)
Hongli Liu, Qin Li, Chunmei Xiong, Haiyang Zhong, Qianqian Zhang, Huan-Xiang Liu, Xiao-Jun Yao
Uncovering the Effect of pS202/pT205/pS208 Triple Phosphorylations on the Conformational Features of the Key Fragment G192-T212 of Tau Protein. ACS chemical neuroscience 12 (6) (2021)
Shuoyan Tan, Xiaoqing Gong, Huan-Xiang Liu, Xiao-Jun Yao
Virtual Screening and Biological Activity Evaluation of New Potent Inhibitors Targeting LRRK2 Kinase Domain. ACS chemical neuroscience 12 (17) (2021)
Zerong Xu, Hongli Liu, Shuo Wang, Qianqian Zhang, Xiao-Jun Yao, Shuangyan Zhou, Huan-Xiang Liu
Unraveling the Molecular Mechanism of Prion H2 C-Terminus Misfolding by Metadynamics Simulations. ACS chemical neuroscience 11 (5) (2020)
Xiaoli An, Qifeng Bai, Zhitong Bing, Hongli Liu, Qianqian Zhang, Huan-Xiang Liu, Xiao-Jun Yao
Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations. ACS chemical neuroscience 11 (4) (2020)
Haiyang Zhong, Zhe Wang, Xuwen Wang, Hui Liu, Dan Li, Huan-Xiang Liu, Xiaojun Yao, Ting-Jun Hou
Importance of a crystalline water network in docking-based virtual screening: a case study of BRD4. Physical chemistry chemical physics : PCCP 21 (45) (2019)
Shuangyan Zhou, Yongchang Zhu, Xiao-Jun Yao, Huan-Xiang Liu
Carbon Nanoparticles Inhibit the Aggregation of Prion Protein as Revealed by Experiments and Atomistic Simulations. Journal of chemical information and modeling 59 (5) (2019)
Hongli Liu, Xuewei Liu, Shuangyan Zhou, Xiaoli An, Huan-Xiang Liu, Xiao-Jun Yao
Disclosing the Template-Induced Misfolding Mechanism of Tau Protein by Studying the Dissociation of the Boundary Chain from the Formed Tau Fibril Based on a Steered Molecular Dynamics Simulation. ACS chemical neuroscience 10 (3) (2019)
Hongli Liu, Haiyang Zhong, Xuewei Liu, Shuangyan Zhou, Shuoyan Tan, Huan-Xiang Liu, Xiao-Jun Yao
Disclosing the Mechanism of Spontaneous Aggregation and Template-Induced Misfolding of the Key Hexapeptide (PHF6) of Tau Protein Based on Molecular Dynamics Simulation. ACS chemical neuroscience 10 (12) (2019)
Shuangyan Zhou, Danfeng Shi, Xuewei Liu, Xiao-Jun Yao, Lin-Tai Da, Huan-Xiang Liu
pH-Induced Misfolding Mechanism of Prion Protein: Insights from Microsecond-Accelerated Molecular Dynamics Simulations. ACS chemical neuroscience 10 (6) (2019)
Linyan Yao, Manman He, Dongfang Li, Jing Tian, Huan-Xiang Liu, Jianxi Xiao
Terminal aspartic acids promote the self-assembly of collagen mimic peptides into nanospheres. RSC advances 8 (5) (2018)
Xiaoli An, Qifeng Bai, Zhitong Bing, Shuangyan Zhou, Danfeng Shi, Huan-Xiang Liu, Xiao-Jun Yao
How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the κ-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics Simulation. ACS chemical neuroscience 10 (3) (2018)
Xiaoli An, Shaoyong Lu, Kun Song, Qiancheng Shen, Meilan Huang, Xiao-Jun Yao, Huan-Xiang Liu, Jian Zhang
Are the Apo Proteins Suitable for the Rational Discovery of Allosteric Drugs? Journal of chemical information and modeling 59 (1) (2018)
Lanlan Li, Yongchang Zhu, Shuangyan Zhou, Xiaoli An, Yan Zhang, Qifeng Bai, Yong-Xing He, Huan-Xiang Liu, Xiao-Jun Yao
Experimental and Theoretical Insights into the Inhibition Mechanism of Prion Fibrillation by Resveratrol and its Derivatives. ACS chemical neuroscience 8 (12) (2017)
Shuangyan Zhou, Xuewei Liu, Xiaoli An, Xiaojun Yao, Huan-Xiang Liu
Molecular Dynamics Simulation Study on the Binding and Stabilization Mechanism of Antiprion Compounds to the "Hot Spot" Region of PrPC. ACS chemical neuroscience 8 (11) (2017)