Haichun Liu (Yanmin Zhang, YanMin Zhang)

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 29

Top Topics

Molecular Docking

Machine Learning

Top Venues

Journal of chemical information and modeling

Molecular informatics

Journal of medicinal chemistry

Physical chemistry chemical physics : PCCP

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

Publications

Xiaohe Xu, Weijie Han, Xiangzhen Ning, Chengdong Zang, Chengcheng Xu, Chen Zeng, Chengtao Pu, Haichun Liu, Ya-Dong Chen, Haichun Liu
Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein-Ligand Interactions. Journal of chemical information and modeling 64 (5) (2024)
Chengtao Pu, Lingxi Gu, Yuxuan Hu, Weijie Han, Xiaohe Xu, Haichun Liu, Ya-Dong Chen, Haichun Liu
Prediction of Human Liver Microsome Clearance with Chirality-Focused Graph Neural Networks. Journal of chemical information and modeling (2024)
Xiaohe Xu, Weijie Han, Xiangzhen Ning, Chengdong Zang, Chengcheng Xu, Chen Zeng, Chengtao Pu, Haichun Liu, Ya-Dong Chen, Haichun Liu
Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein-Ligand Interactions. Journal of chemical information and modeling 64 (5) (2024)
Xiaohe Xu, Weijie Han, Xiangzhen Ning, Chengdong Zang, Chengcheng Xu, Chen Zeng, Chengtao Pu, Haichun Liu, Ya-Dong Chen, Haichun Liu
Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein-Ligand Interactions. Journal of chemical information and modeling 64 (5) (2024)
Weijie Han, Xiaohe Xu, Qing Fan, Yingchao Yan, Haichun Liu, Yadong Chen, Haichun Liu
In silico construction of a focused fragment library facilitating exploration of chemical space. Molecular informatics (2024)
Xiaohe Xu, Weijie Han, Xiangzhen Ning, Chengdong Zang, Chengcheng Xu, Chen Zeng, Chengtao Pu, Haichun Liu, Ya-Dong Chen, Haichun Liu
Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein-Ligand Interactions. Journal of chemical information and modeling (2024)
Xiaohe Xu, Weijie Han, Xiangzhen Ning, Chengdong Zang, Chengcheng Xu, Chen Zeng, Chengtao Pu, Haichun Liu, Ya-Dong Chen, Haichun Liu
Constructing Innovative Covalent and Noncovalent Compound Libraries: Insights from 3D Protein-Ligand Interactions. Journal of chemical information and modeling 64 (5) (2024)
Weijie Han, Xiaohe Xu, Qing Fan, Yingchao Yan, Haichun Liu, Yadong Chen, Haichun Liu
In silico construction of a focused fragment library facilitating exploration of chemical space. Molecular informatics 43 (3) (2024)
Weijie Han, Xiaohe Xu, Qing Fan, Yingchao Yan, Haichun Liu, Yadong Chen, Haichun Liu
In silico construction of a focused fragment library facilitating exploration of chemical space. Molecular informatics 43 (3) (2024)
Chengtao Pu, Lingxi Gu, Yuxuan Hu, Weijie Han, Xiaohe Xu, Haichun Liu, Ya-Dong Chen, Haichun Liu
Prediction of Human Liver Microsome Clearance with Chirality-Focused Graph Neural Networks. Journal of chemical information and modeling 64 (14) (2024)
Yuan Yuan Li, Lingfeng Chen, Chengtao Pu, Chengdong Zang, YingChao Yan, Ya-Dong Chen, Haichun Liu, Haichun Liu
Co-model for chemical toxicity prediction based on multi-task deep learning. Molecular informatics (2023)
Yingchao Yan, Yang Zhao, Huifeng Yao, Jie Feng, Li Liang, Weijie Han, Xiaohe Xu, Chengtao Pu, Chengdong Zang, Lingfeng Chen, Yuanyuan Li, Haichun Liu, Tao Lu, Ya-Dong Chen, Haichun Liu
RPBP: Deep Retrosynthesis Reaction Prediction Based on Byproducts. Journal of chemical information and modeling (2023)
Xu Qian, Xiaowen Dai, Lin Luo, Mingde Lin, Yuan Xu, Yang Zhao, Dingfang Huang, Haodi Qiu, Li Liang, Haichun Liu, Yingbo Liu, Lingxi Gu, Tao Lu, Ya-Dong Chen, Haichun Liu
An Interpretable Multitask Framework BiLAT Enables Accurate Prediction of Cyclin-Dependent Protein Kinase Inhibitors. Journal of chemical information and modeling (2023)
Li Liang, Haichun Liu, Guomeng Xing, Chenglong Deng, Yi Hua, Rui Gu, Tao Lu, Yadong Chen, Haichun Liu
Accurate calculation of absolute free energy of binding for SHP2 allosteric inhibitors using free energy perturbation. Physical chemistry chemical physics : PCCP 24 (17) (2022)
Yi Hua, Xiaobao Fang, Guomeng Xing, Yuan Xu, Li Liang, Chenglong Deng, Xiaowen Dai, Haichun Liu, Tao Lu, Haichun Liu, Ya-Dong Chen
Effective Reaction-Based De Novo Strategy for Kinase Targets: A Case Study on MERTK Inhibitors. Journal of chemical information and modeling 62 (7) (2022)
Wuchen Xie, Siyu Yang, Li Liang, Meng Wang, Wen Zuo, Yan Lei, Haichun Liu, Weifang Tang, Tao Lu, Ya-Dong Chen, Yulei Jiang
Discovery of 2-Amino-7-sulfonyl-7 H -pyrrolo[2,3- d ]pyrimidine Derivatives as Potent Reversible FGFR Inhibitors with Gatekeeper Mutation Tolerance: Design, Synthesis, and Biological Evaluation. Journal of medicinal chemistry (2022)
Xiaowen Dai, Yuan Xu, Haodi Qiu, Xu Qian, Mingde Lin, Lin Luo, Yang Zhao, Dingfang Huang, Haichun Liu, Ya-Dong Chen, Haichun Liu, Yulei Jiang
KID: A Kinase-Focused Interaction Database and Its Application in the Construction of Kinase-Focused Molecule Databases. Journal of chemical information and modeling (2022)
Yi Hua, Lin Luo, Haodi Qiu, Dingfang Huang, Yang Zhao, Haichun Liu, Tao Lu, Yadong Chen, Haichun Liu, Yulei Jiang
Multimodal multi-task deep neural network framework for kinase-target prediction. Molecular diversity (2022)
Chao Dong, Yong Wang, Zhenlin Tu, Jingxue Yan, Yiqing Jiang, Tao Lu, Ya-Dong Chen, Haichun Liu
Recent advances in ATM inhibitors as potential therapeutic agents. Future medicinal chemistry (2022)
Yi Hua, Dingfang Huang, Li Liang, Xu Qian, Xiaowen Dai, Yuan Xu, Haodi Qiu, Tao Lu, Haichun Liu, Yadong Chen, Haichun Liu
FSDscore: An Effective Target-focused Scoring Criterion for Virtual Screening. Molecular informatics (2022)
Haichun Liu, Sourav Chowdhury, João V Rodrigues, Eugene I Shakhnovich
Development of antibacterial compounds that constrain evolutionary pathways to resistance. eLife 10 (2021)
Yuqin Zhu, Yuxiang Ma, Weidong Zu, Jianing Song, Hua Wang, You Zhong, Hongmei Li, Haichun Liu, Qianqian Gao, Bo Kong, Junyu Xu, Fei Jiang, Xinren Wang, Shuwen Li, Chenhe Liu, Haichun Liu, Tao Lu, Ya-Dong Chen
Identification of N-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine Derivatives as Novel, Potent, and Selective NF-κB Inducing Kinase (NIK) Inhibitors for the Treatment of Psoriasis. Journal of medicinal chemistry 63 (13) (2020)
Xingye Chen, Wuchen Xie, Yan Yang, Yi Hua, GuoMeng Xing, Li Liang, Chenglong Deng, Yuchen Wang, Yuanrong Fan, Haichun Liu, Tao Lu, Ya-Dong Chen, Haichun Liu
Discovery of Dual FGFR4 and EGFR Inhibitors by Machine Learning and Biological Evaluation. Journal of chemical information and modeling 60 (10) (2020)
Guomeng Xing, Li Liang, Chenglong Deng, Yi Hua, Xingye Chen, Yan Yang, Haichun Liu, Tao Lu, Ya-Dong Chen, Haichun Liu
Activity Prediction of Small Molecule Inhibitors for Antirheumatoid Arthritis Targets Based on Artificial Intelligence. ACS combinatorial science 22 (12) (2020)
Yan Yang, Haichun Liu, Yi Hua, Xingye Chen, Yuanrong Fan, Yuchen Wang, Li Liang, Chenglong Deng, Tao Lu, Ya-Dong Chen, Haichun Liu
In Silico Design and Analysis of a Kinase-Focused Combinatorial Library Considering Diversity and Quality. Journal of chemical information and modeling 60 (1) (2020)
Yuanrong Fan, Haichun Liu, Yi Hua, Yuchen Wang, Lu Zhu, Junnan Zhao, Yan Yang, Xingye Chen, Shuai Lu, Tao Lu, Ya-Dong Chen, Haichun Liu
Investigation of Machine Intelligence in Compound Cell Activity Classification. Molecular pharmaceutics 16 (11) (2019)
Yuchen Wang, Shaohua Hou, Yu Tong, Hongmei Li, Yi Hua, Yuanrong Fan, Xingye Chen, Yan Yang, Haichun Liu, Tao Lu, Ya-Dong Chen, Haichun Liu
Discovery of potent apoptosis signal-regulating kinase 1 inhibitors via integrated computational strategy and biological evaluation. Journal of biomolecular structure & dynamics 38 (15) (2019)
Yuchen Wang, Haichun Liu, Yuanrong Fan, Xingye Chen, Yan Yang, Lu Zhu, Junnan Zhao, Ya-Dong Chen, Haichun Liu
In Silico Prediction of Human Intravenous Pharmacokinetic Parameters with Improved Accuracy. Journal of chemical information and modeling 59 (9) (2019)
Xingye Chen, Haichun Liu, Wuchen Xie, Yan Yang, Yuchen Wang, Yuanrong Fan, Yi Hua, Lu Zhu, Junnan Zhao, Tao Lu, Ya-Dong Chen, Haichun Liu
Investigation of Crystal Structures in Structure-Based Virtual Screening for Protein Kinase Inhibitors. Journal of chemical information and modeling 59 (12) (2019)