Ting-Jun Hou (Tingjun Hou, TingJun Hou)

ResearcherID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 209

Top Venues

Journal of chemical information and modeling

Briefings in bioinformatics

Journal of medicinal chemistry

Nature communications

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

Publications

Ruofan Jin, Qing Ye, Jike Wang, Zheng Cao, Dejun Jiang, Tianyue Wang, Yu Kang, Wanting Xu, Chang-Yu Hsieh, Ting-Jun Hou
AttABseq: an attention-based deep learning prediction method for antigen-antibody binding affinity changes based on protein sequences. Briefings in bioinformatics 25 (4) (2024)
Xiaorui Wang, Xiaodan Yin, De-Jun Jiang, Huifeng Zhao, Zhenxing Wu, Odin Zhang, Jike Wang, Yuquan Li, Yafeng Deng, Huanxiang Liu, Pei Luo, Yuqiang Han, Ting-Jun Hou, Xiaojun Yao, Chang-Yu Hsieh
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites. Nature communications 15 (1) (2024)
Tianyue Wang, Xujun Zhang, Odin Zhang, Guangyong Chen, Peichen Pan, Ercheng Wang, Jike Wang, Jialu Wu, Donghao Zhou, Langcheng Wang, Ruofan Jin, Shicheng Chen, Chao Shen, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Highly Accurate and Efficient Deep Learning Paradigm for Full-Atom Protein Loop Modeling with KarmaLoop. Research (Washington, D.C.) 7 (2024)
Liu Yang, Xueping Hu, Yang Lu, Ruolan Xu, Yaping Xu, WanLi Ma, Md Shah Alam, Tian-Yu Zhang, Xin Chai, Yixuan Lei, Qing Ye, Xiao-Wu Dong, Yu Kang, Jinxin Che, Ting-Jun Hou, Dan Li
Discovery of N -(1-(6-Oxo-1,6-dihydropyrimidine)-pyrazole) Acetamide Derivatives as Novel Noncovalent DprE1 Inhibitors against Mycobacterium tuberculosis . Journal of medicinal chemistry 67 (3) (2024)
Gaoqi Weng, Huifeng Zhao, Dou Nie, Haotian Zhang, Liwei Liu, Ting-Jun Hou, Yu Kang
RediscMol: Benchmarking Molecular Generation Models in Biological Properties. Journal of medicinal chemistry 67 (2) (2024)
Yuqiang Han, Xiaoyang Xu, Chang-Yu Hsieh, Keyan Ding, Hongxia Xu, Renjun Xu, Ting-Jun Hou, Qiang Zhang, Huajun Chen
Retrosynthesis prediction with an iterative string editing model. Nature communications 15 (1) (2024)
Haiyi Chen, Yuxin Zhou, Xinyue Wang, Xin Chai, Zhe Wang, Ercheng Wang, Lei Xu, Ting-Jun Hou, Dan Li, Mojie Duan
Discovery of Novel Anti-Resistance AR Antagonists Guided by Funnel Metadynamics Simulation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (19) (2024)
Liu Yang, Xueping Hu, Yang Lu, Ruolan Xu, Yaping Xu, WanLi Ma, Md Shah Alam, Tian-Yu Zhang, Xin Chai, Yixuan Lei, Qing Ye, Xiao-Wu Dong, Yu Kang, Jinxin Che, Ting-Jun Hou, Dan Li
Discovery of N -(1-(6-Oxo-1,6-dihydropyrimidine)-pyrazole) Acetamide Derivatives as Novel Noncovalent DprE1 Inhibitors against Mycobacterium tuberculosis . Journal of medicinal chemistry 67 (3) (2024)
Chao Shen, Jianfei Song, Chang-Yu Hsieh, Dong-Sheng Cao, Yu Kang, Wenling Ye, Zhenxing Wu, Jike Wang, Odin Zhang, Xujun Zhang, Hao Zeng, Heng Cai, Yu Chen, Linkang Chen, Hao Luo, Xinda Zhao, Tianye Jian, Tong Chen, De-Jun Jiang, Mingyang Wang, Qing Ye, Jialu Wu, Hongyan Du, Hui Shi, Yafeng Deng, Ting-Jun Hou
DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery. Journal of chemical information and modeling 64 (14) (2024)
Xujun Zhang, Chao Shen, Haotian Zhang, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Advancing Ligand Docking through Deep Learning: Challenges and Prospects in Virtual Screening. Accounts of chemical research (2024)
Jiacai Yi, Shaohua Shi, Li Fu, Ziyi Yang, Pengfei Nie, Ai-Ping Lu, Chengkun Wu, Yafeng Deng, Chang-Yu Hsieh, Xiangxiang Zeng, Ting-Jun Hou, Dongsheng Cao
OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds. Nature protocols (2024)
Jie Yue, Bingxin Peng, Yu Chen, Jieyu Jin, Xinda Zhao, Chao Shen, Xiangyang Ji, Chang-Yu Hsieh, Jianfei Song, Ting-Jun Hou, Yafeng Deng, Jike Wang
Unlocking comprehensive molecular design across all scenarios with large language model and unordered chemical language. Chemical science 15 (34) (2024)
Shao-Hua Shi, Li Fu, Jia-Cai Yi, Ziyi Yang, Xiaochen Zhang, Youchao Deng, Wenxuan Wang, Chengkun Wu, Wentao Zhao, Ting-Jun Hou, Xiangxiang Zeng, Ai-Ping Lu, Dong-Sheng Cao
ChemFH: an integrated tool for screening frequent false positives in chemical biology and drug discovery. Nucleic acids research 52 (W1) (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 (2024)
Tianyue Wang, Langcheng Wang, Xujun Zhang, Chao Shen, Odin Zhang, Jike Wang, Jialu Wu, Ruofan Jin, Donghao Zhou, Shicheng Chen, Liwei Liu, Xiaorui Wang, Chang-Yu Hsieh, Guangyong Chen, Peichen Pan, Yu Kang, Ting-Jun Hou
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. Briefings in bioinformatics 25 (1) (2024)
Xiaoyan Xu, Tingxue Xie, Mengxin Zhou, Yaqin Sun, Fengqi Wang, Yanan Tian, Ziyan Chen, Yanqi Xie, Ronghai Wu, Xufeng Cen, Jichun Zhou, Ting-Jun Hou, Lei Zhang, Chaoyang Huang, Qingwei Zhao, Dongrui Wang, Hong-Guang Xia
Hsc70 promotes anti-tumor immunity by targeting PD-L1 for lysosomal degradation. Nature communications 15 (1) (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)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. 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 (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)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Gaoqi Weng, Huifeng Zhao, Dou Nie, Haotian Zhang, Liwei Liu, Ting-Jun Hou, Yu Kang
RediscMol: Benchmarking Molecular Generation Models in Biological Properties. Journal of medicinal chemistry 67 (2) (2024)
Ruofan Jin, Qing Ye, Jike Wang, Zheng Cao, Dejun Jiang, Tianyue Wang, Yu Kang, Wanting Xu, Chang-Yu Hsieh, Ting-Jun Hou
AttABseq: an attention-based deep learning prediction method for antigen-antibody binding affinity changes based on protein sequences. Briefings in bioinformatics 25 (4) (2024)
Li Fu, Shao-Hua Shi, Jia-Cai Yi, Ningning Wang, Yuanhang He, Zhenxing Wu, Jinfu Peng, Youchao Deng, Wenxuan Wang, Chengkun Wu, Ai-Ping Lu, Xiangxiang Zeng, Wentao Zhao, Ting-Jun Hou, Dong-Sheng Cao
ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support. Nucleic acids research (2024)
Haiyi Chen, Yuxin Zhou, Xinyue Wang, Xin Chai, Zhe Wang, Ercheng Wang, Lei Xu, Ting-Jun Hou, Dan Li, Mojie Duan
Discovery of Novel Anti-Resistance AR Antagonists Guided by Funnel Metadynamics Simulation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2024)
Tianyue Wang, Xujun Zhang, Odin Zhang, Guangyong Chen, Peichen Pan, Ercheng Wang, Jike Wang, Jialu Wu, Donghao Zhou, Langcheng Wang, Ruofan Jin, Shicheng Chen, Chao Shen, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Highly Accurate and Efficient Deep Learning Paradigm for Full-Atom Protein Loop Modeling with KarmaLoop. Research (Washington, D.C.) 7 (2024)
Li Fu, Shao-Hua Shi, Jia-Cai Yi, Ningning Wang, Yuanhang He, Zhenxing Wu, Jinfu Peng, Youchao Deng, Wenxuan Wang, Chengkun Wu, Ai-Ping Lu, Xiangxiang Zeng, Wentao Zhao, Ting-Jun Hou, Dong-Sheng Cao
ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support. Nucleic acids research 52 (W1) (2024)
Hanyu Zhang, Yuan Zhou, Zhichao Zhang, Huaicheng Sun, Ziqi Pan, Minjie Mou, Wei Zhang, Qing Ye, Ting-Jun Hou, HongLin Li, Chang-Yu Hsieh, Jian Zhang
Large Language Model-Based Natural Language Encoding Could Be All You Need for Drug Biomedical Association Prediction. Analytical chemistry (2024)
Renling Hu, Jintu Zhang, Yu Kang, Zhe Wang, Peichen Pan, Yafeng Deng, Chang-Yu Hsieh, Ting-Jun Hou
Comprehensive, Open-Source, and Automated Workflow for Multisite λ-Dynamics in Lead Optimization. Journal of chemical theory and computation 20 (3) (2024)
Tianyue Wang, Langcheng Wang, Xujun Zhang, Chao Shen, Odin Zhang, Jike Wang, Jialu Wu, Ruofan Jin, Donghao Zhou, Shicheng Chen, Liwei Liu, Xiaorui Wang, Chang-Yu Hsieh, Guangyong Chen, Peichen Pan, Yu Kang, Ting-Jun Hou
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. Briefings in bioinformatics 25 (1) (2024)
Mingyang Wang, Zhengjian Wu, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Xiaojun Yao, Zhitong Bing, Chang-Yu Hsieh, Ting-Jun Hou
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. Journal of chemical information and modeling 64 (4) (2024)
Liu Yang, Xueping Hu, Yang Lu, Ruolan Xu, Yaping Xu, WanLi Ma, Md Shah Alam, Tian-Yu Zhang, Xin Chai, Yixuan Lei, Qing Ye, Xiao-Wu Dong, Yu Kang, Jinxin Che, Ting-Jun Hou, Dan Li
Discovery of N -(1-(6-Oxo-1,6-dihydropyrimidine)-pyrazole) Acetamide Derivatives as Novel Noncovalent DprE1 Inhibitors against Mycobacterium tuberculosis . Journal of medicinal chemistry 67 (3) (2024)
Jintu Zhang, Odin Zhang, Luigi Bonati, Ting-Jun Hou
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm. Journal of chemical theory and computation (2024)
Renling Hu, Jintu Zhang, Yu Kang, Zhe Wang, Peichen Pan, Yafeng Deng, Chang-Yu Hsieh, Ting-Jun Hou
Comprehensive, Open-Source, and Automated Workflow for Multisite λ-Dynamics in Lead Optimization. Journal of chemical theory and computation 20 (3) (2024)
Haiyi Chen, Yuxin Zhou, Xinyue Wang, Xin Chai, Zhe Wang, Ercheng Wang, Lei Xu, Ting-Jun Hou, Dan Li, Mojie Duan
Discovery of Novel Anti-Resistance AR Antagonists Guided by Funnel Metadynamics Simulation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (19) (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)
Mingyang Wang, Zhengjian Wu, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Xiaojun Yao, Zhitong Bing, Chang-Yu Hsieh, Ting-Jun Hou
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. Journal of chemical information and modeling 64 (4) (2024)
Shao-Hua Shi, Li Fu, Jia-Cai Yi, Ziyi Yang, Xiaochen Zhang, Youchao Deng, Wenxuan Wang, Chengkun Wu, Wentao Zhao, Ting-Jun Hou, Xiangxiang Zeng, Ai-Ping Lu, Dong-Sheng Cao
ChemFH: an integrated tool for screening frequent false positives in chemical biology and drug discovery. Nucleic acids research (2024)
Dejun Jiang, Hongyan Du, Huifeng Zhao, Yafeng Deng, Zhenxing Wu, Jike Wang, Yundian Zeng, Haotian Zhang, Xiaorui Wang, Ercheng Wang, Ting-Jun Hou, Chang-Yu Hsieh
Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes. Physical chemistry chemical physics : PCCP 26 (13) (2024)
Tianyue Wang, Langcheng Wang, Xujun Zhang, Chao Shen, Odin Zhang, Jike Wang, Jialu Wu, Ruofan Jin, Donghao Zhou, Shicheng Chen, Liwei Liu, Xiaorui Wang, Chang-Yu Hsieh, Guangyong Chen, Peichen Pan, Yu Kang, Ting-Jun Hou
Comprehensive assessment of protein loop modeling programs on large-scale datasets: prediction accuracy and efficiency. Briefings in bioinformatics 25 (1) (2024)
Chao Shen, Jianfei Song, Chang-Yu Hsieh, Dong-Sheng Cao, Yu Kang, Wenling Ye, Zhenxing Wu, Jike Wang, Odin Zhang, Xujun Zhang, Hao Zeng, Heng Cai, Yu Chen, Linkang Chen, Hao Luo, Xinda Zhao, Tianye Jian, Tong Chen, De-Jun Jiang, Mingyang Wang, Qing Ye, Jialu Wu, Hongyan Du, Hui Shi, Yafeng Deng, Ting-Jun Hou
DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery. Journal of chemical information and modeling (2024)
Liu Yang, Xueping Hu, Yang Lu, Ruolan Xu, Yaping Xu, WanLi Ma, Md Shah Alam, Tian-Yu Zhang, Xin Chai, Yixuan Lei, Qing Ye, Xiao-Wu Dong, Yu Kang, Jinxin Che, Ting-Jun Hou, Dan Li
Discovery of N -(1-(6-Oxo-1,6-dihydropyrimidine)-pyrazole) Acetamide Derivatives as Novel Noncovalent DprE1 Inhibitors against Mycobacterium tuberculosis . Journal of medicinal chemistry (2024)
Shao-Hua Shi, Li Fu, Jia-Cai Yi, Ziyi Yang, Xiaochen Zhang, Youchao Deng, Wenxuan Wang, Chengkun Wu, Wentao Zhao, Ting-Jun Hou, Xiangxiang Zeng, Ai-Ping Lu, Dong-Sheng Cao
ChemFH: an integrated tool for screening frequent false positives in chemical biology and drug discovery. Nucleic acids research (2024)
Xiaoyan Xu, Tingxue Xie, Mengxin Zhou, Yaqin Sun, Fengqi Wang, Yanan Tian, Ziyan Chen, Yanqi Xie, Ronghai Wu, Xufeng Cen, Jichun Zhou, Ting-Jun Hou, Lei Zhang, Chaoyang Huang, Qingwei Zhao, Dongrui Wang, Hong-Guang Xia
Hsc70 promotes anti-tumor immunity by targeting PD-L1 for lysosomal degradation. Nature communications 15 (1) (2024)
Xiaoyan Xu, Tingxue Xie, Mengxin Zhou, Yaqin Sun, Fengqi Wang, Yanan Tian, Ziyan Chen, Yanqi Xie, Ronghai Wu, Xufeng Cen, Jichun Zhou, Ting-Jun Hou, Lei Zhang, Chaoyang Huang, Qingwei Zhao, Dongrui Wang, Hong-Guang Xia
Hsc70 promotes anti-tumor immunity by targeting PD-L1 for lysosomal degradation. Nature communications 15 (1) (2024)
Dejun Jiang, Hongyan Du, Huifeng Zhao, Yafeng Deng, Zhenxing Wu, Jike Wang, Yundian Zeng, Haotian Zhang, Xiaorui Wang, Ercheng Wang, Ting-Jun Hou, Chang-Yu Hsieh
Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes. Physical chemistry chemical physics : PCCP 26 (13) (2024)
Haiyi Chen, Yuxin Zhou, Xinyue Wang, Xin Chai, Zhe Wang, Ercheng Wang, Lei Xu, Ting-Jun Hou, Dan Li, Mojie Duan
Discovery of Novel Anti-Resistance AR Antagonists Guided by Funnel Metadynamics Simulation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (19) (2024)
Xujun Zhang, Chao Shen, Haotian Zhang, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Advancing Ligand Docking through Deep Learning: Challenges and Prospects in Virtual Screening. Accounts of chemical research 57 (10) (2024)
Gaoqi Weng, Huifeng Zhao, Dou Nie, Haotian Zhang, Liwei Liu, Ting-Jun Hou, Yu Kang
RediscMol: Benchmarking Molecular Generation Models in Biological Properties. Journal of medicinal chemistry (2024)
Mingyang Wang, Zhengjian Wu, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Xiaojun Yao, Zhitong Bing, Chang-Yu Hsieh, Ting-Jun Hou
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. Journal of chemical information and modeling 64 (4) (2024)
Shao-Hua Shi, Li Fu, Jia-Cai Yi, Ziyi Yang, Xiaochen Zhang, Youchao Deng, Wenxuan Wang, Chengkun Wu, Wentao Zhao, Ting-Jun Hou, Xiangxiang Zeng, Ai-Ping Lu, Dong-Sheng Cao
ChemFH: an integrated tool for screening frequent false positives in chemical biology and drug discovery. Nucleic acids research 52 (W1) (2024)
Xiaoyan Xu, Tingxue Xie, Mengxin Zhou, Yaqin Sun, Fengqi Wang, Yanan Tian, Ziyan Chen, Yanqi Xie, Ronghai Wu, Xufeng Cen, Jichun Zhou, Ting-Jun Hou, Lei Zhang, Chaoyang Huang, Qingwei Zhao, Dongrui Wang, Hong-Guang Xia
Hsc70 promotes anti-tumor immunity by targeting PD-L1 for lysosomal degradation. Nature communications 15 (1) (2024)
Dejun Jiang, Hongyan Du, Huifeng Zhao, Yafeng Deng, Zhenxing Wu, Jike Wang, Yundian Zeng, Haotian Zhang, Xiaorui Wang, Ercheng Wang, Ting-Jun Hou, Chang-Yu Hsieh
Assessing the performance of MM/PBSA and MM/GBSA methods. 10. Prediction reliability of binding affinities and binding poses for RNA-ligand complexes. Physical chemistry chemical physics : PCCP (2024)
Jintu Zhang, Odin Zhang, Luigi Bonati, Ting-Jun Hou
Combining Transition Path Sampling with Data-Driven Collective Variables through a Reactivity-Biased Shooting Algorithm. Journal of chemical theory and computation 20 (11) (2024)
Yuqiang Han, Xiaoyang Xu, Chang-Yu Hsieh, Keyan Ding, Hongxia Xu, Renjun Xu, Ting-Jun Hou, Qiang Zhang, Huajun Chen
Retrosynthesis prediction with an iterative string editing model. Nature communications 15 (1) (2024)
Haiyi Chen, Yuxin Zhou, Xinyue Wang, Xin Chai, Zhe Wang, Ercheng Wang, Lei Xu, Ting-Jun Hou, Dan Li, Mojie Duan
Discovery of Novel Anti-Resistance AR Antagonists Guided by Funnel Metadynamics Simulation. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (19) (2024)
Xujun Zhang, Chao Shen, Haotian Zhang, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Advancing Ligand Docking through Deep Learning: Challenges and Prospects in Virtual Screening. Accounts of chemical research 57 (10) (2024)
Mingyang Wang, Zhengjian Wu, Jike Wang, Gaoqi Weng, Yu Kang, Peichen Pan, Dan Li, Yafeng Deng, Xiaojun Yao, Zhitong Bing, Chang-Yu Hsieh, Ting-Jun Hou
Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space. 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)
Xujun Zhang, Chao Shen, Haotian Zhang, Yu Kang, Chang-Yu Hsieh, Ting-Jun Hou
Advancing Ligand Docking through Deep Learning: Challenges and Prospects in Virtual Screening. Accounts of chemical research 57 (10) (2024)
Jiacai Yi, Shaohua Shi, Li Fu, Ziyi Yang, Pengfei Nie, Ai-Ping Lu, Chengkun Wu, Yafeng Deng, Chang-Yu Hsieh, Xiangxiang Zeng, Ting-Jun Hou, Dongsheng Cao
OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds. Nature protocols 19 (4) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Yuqiang Han, Xiaoyang Xu, Chang-Yu Hsieh, Keyan Ding, Hongxia Xu, Renjun Xu, Ting-Jun Hou, Qiang Zhang, Huajun Chen
Retrosynthesis prediction with an iterative string editing model. Nature communications 15 (1) (2024)
Huifeng Zhao, De-Jun Jiang, Chao Shen, Jintu Zhang, Xujun Zhang, Xiaorui Wang, Dou Nie, Ting-Jun Hou, Yu Kang
Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes. Journal of chemical information and modeling 64 (6) (2024)
Xiaorui Wang, Xiaodan Yin, De-Jun Jiang, Huifeng Zhao, Zhenxing Wu, Odin Zhang, Jike Wang, Yuquan Li, Yafeng Deng, Huanxiang Liu, Pei Luo, Yuqiang Han, Ting-Jun Hou, Xiaojun Yao, Chang-Yu Hsieh
Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites. Nature communications 15 (1) (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)
Li Fu, Shao-Hua Shi, Jia-Cai Yi, Ningning Wang, Yuanhang He, Zhenxing Wu, Jinfu Peng, Youchao Deng, Wenxuan Wang, Chengkun Wu, Ai-Ping Lu, Xiangxiang Zeng, Wentao Zhao, Ting-Jun Hou, Dong-Sheng Cao
ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision support. Nucleic acids research 52 (W1) (2024)
Liu Yang, Xueping Hu, Yang Lu, Ruolan Xu, Yaping Xu, WanLi Ma, Md Shah Alam, Tian-Yu Zhang, Xin Chai, Yixuan Lei, Qing Ye, Xiao-Wu Dong, Yu Kang, Jinxin Che, Ting-Jun Hou, Dan Li
Discovery of N -(1-(6-Oxo-1,6-dihydropyrimidine)-pyrazole) Acetamide Derivatives as Novel Noncovalent DprE1 Inhibitors against Mycobacterium tuberculosis . Journal of medicinal chemistry 67 (3) (2024)
Renling Hu, Jintu Zhang, Yu Kang, Zhe Wang, Peichen Pan, Yafeng Deng, Chang-Yu Hsieh, Ting-Jun Hou
Comprehensive, Open-Source, and Automated Workflow for Multisite λ-Dynamics in Lead Optimization. Journal of chemical theory and computation (2024)
Jiacai Yi, Shaohua Shi, Li Fu, Ziyi Yang, Pengfei Nie, Ai-Ping Lu, Chengkun Wu, Yafeng Deng, Chang-Yu Hsieh, Xiangxiang Zeng, Ting-Jun Hou, Dongsheng Cao
OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds. Nature protocols 19 (4) (2024)
Jintu Zhang, Haotian Zhang, Zhixin Qin, Yu Kang, Xin Hong, Ting-Jun Hou
Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials. Journal of chemical information and modeling 63 (4) (2023)
Jintu Zhang, Haotian Zhang, Zhixin Qin, Yu Kang, Xin Hong, Ting-Jun Hou
Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials. Journal of chemical information and modeling 63 (4) (2023)
Heng Cai, Chao Shen, Tianye Jian, Xujun Zhang, Tong Chen, Xiaoqi Han, Zhuo Yang, Wei Dang, Chang-Yu Hsieh, Yu Kang, Peichen Pan, Xiangyang Ji, Jianfei Song, Ting-Jun Hou, Yafeng Deng
CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-training. Chemical science 15 (4) (2023)
Heng Cai, Chao Shen, Tianye Jian, Xujun Zhang, Tong Chen, Xiaoqi Han, Zhuo Yang, Wei Dang, Chang-Yu Hsieh, Yu Kang, Peichen Pan, Xiangyang Ji, Jianfei Song, Ting-Jun Hou, Yafeng Deng
CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-training. Chemical science 15 (4) (2023)
Yihao Zhao, Jintu Zhang, Haotian Zhang, Shukai Gu, Yafeng Deng, Yaoquan Tu, Ting-Jun Hou, Yu Kang
Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems. The journal of physical chemistry letters (2023)
Jian Gao, Zheyuan Shen, Yufeng Xie, Jialiang Lu, Yang Lu, Sikang Chen, Qingyu Bian, Yue Guo, Liteng Shen, Jian Wu, Binbin Zhou, Ting-Jun Hou, Qiaojun He, Jinxin Che, Xiao-Wu Dong
TransFoxMol: predicting molecular property with focused attention. Briefings in bioinformatics (2023)
Tiantao Liu, Zheng Cao, Yuansheng Huang, Yue Wan, Jian Wu, Chang-Yu Hsieh, Ting-Jun Hou, Yu Kang
SynCluster: Reaction Type Clustering and Recommendation Framework for Synthesis Planning. JACS Au 3 (12) (2023)
Yuwei Yang, Chang-Yu Hsieh, Yu Kang, Ting-Jun Hou, Huanxiang Liu, Xiaojun Yao
Deep Generation Model Guided by the Docking Score for Active Molecular Design. Journal of chemical information and modeling 63 (10) (2023)
Hongyan Du, Dejun Jiang, Odin Zhang, Zhenxing Wu, Junbo Gao, Xujun Zhang, Xiaorui Wang, Yafeng Deng, Yu Kang, Dan Li, Peichen Pan, Chang-Yu Hsieh, Ting-Jun Hou
A flexible data-free framework for structure-based de novo drug design with reinforcement learning. Chemical science 14 (43) (2023)
Xujun Zhang, Odin Zhang, Chao Shen, Wanglin Qu, Shicheng Chen, Hanqun Cao, Yu Kang, Zhe Wang, Ercheng Wang, Jintu Zhang, Yafeng Deng, Furui Liu, Tianyue Wang, Hongyan Du, Langcheng Wang, Peichen Pan, Guangyong Chen, Chang-Yu Hsieh, Ting-Jun Hou
Efficient and accurate large library ligand docking with KarmaDock. Nature computational science 3 (9) (2023)
Kai-Yue Ji, Chong Liu, Zhao-Qian Liu, Ya-Feng Deng, Ting-Jun Hou, Dong-Sheng Cao
Comprehensive assessment of nine target prediction web services: which should we choose for target fishing? Briefings in bioinformatics 24 (2) (2023)
Dong Wang, Zhenxing Wu, Chao Shen, Lingjie Bao, Hao Luo, Zhe Wang, Hucheng Yao, De-Xin Kong, Cheng Luo, Ting-Jun Hou
Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors. 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 24 (1) (2023)
Dong Wang, Zhenxing Wu, Chao Shen, Lingjie Bao, Hao Luo, Zhe Wang, Hucheng Yao, De-Xin Kong, Cheng Luo, Ting-Jun Hou
Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors. Briefings in bioinformatics 24 (1) (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, De-Jun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Haiyang Zhong, Xinyue Wang, Shicheng Chen, Zhe Wang, Huating Wang, Lei Xu, Ting-Jun Hou, Xiao-Jun Yao, Dan Li, Peichen Pan
Discovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for Considering Water Networks in Virtual Screening and Drug Design. Journal of medicinal chemistry 67 (1) (2023)
Weitao Fu, Hao Yang, Chenxian Hu, Jianing Liao, Zhou Gong, Minkui Zhang, Shuai Yang, Shangxiang Ye, Yixuan Lei, Rong Sheng, Zhiguo Zhang, Xiaojun Yao, Chun Tang, Dan Li, Ting-Jun Hou
Small-Molecule Inhibition of Androgen Receptor Dimerization as a Strategy against Prostate Cancer. ACS central science 9 (4) (2023)
Xiao-Dan Yin, Xiaorui Wang, Yuquan Li, Jike Wang, Yuwei Wang, Yafeng Deng, Ting-Jun Hou, Huanxiang Liu, Pei Luo, Xiaojun Yao
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules. Journal of chemical information and modeling (2023)
Haiyang Zhong, Xinyue Wang, Shicheng Chen, Zhe Wang, Huating Wang, Lei Xu, Ting-Jun Hou, Xiao-Jun Yao, Dan Li, Peichen Pan
Discovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for Considering Water Networks in Virtual Screening and Drug Design. Journal of medicinal chemistry (2023)
Kai-Yue Ji, Chong Liu, Zhao-Qian Liu, Ya-Feng Deng, Ting-Jun Hou, Dong-Sheng Cao
Comprehensive assessment of nine target prediction web services: which should we choose for target fishing? Briefings in bioinformatics (2023)
Zhenxing Wu, Jike Wang, Hongyan Du, De-Jun Jiang, Yu Kang, Dan Li, Peichen Pan, Yafeng Deng, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking. Nature communications 14 (1) (2023)
Haiyi Chen, Yue Guo, Shengqing Ye, Jintu Zhang, Haotian Zhang, Na Liu, Rui Zhou, Ting-Jun Hou, Hongguang Xia, Yu Kang, Mojie Duan
On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate. Journal of chemical information and modeling (2023)
Xujun Zhang, Chao Shen, Tianyue Wang, Yafeng Deng, Yu Kang, Dan Li, Ting-Jun Hou, Peichen Pan
ML-PLIC: a web platform for characterizing protein-ligand interactions and developing machine learning-based scoring functions. Briefings in bioinformatics 24 (5) (2023)
Haiyang Zhong, Xinyue Wang, Shicheng Chen, Zhe Wang, Huating Wang, Lei Xu, Ting-Jun Hou, Xiao-Jun Yao, Dan Li, Peichen Pan
Discovery of Novel Inhibitors of BRD4 for Treating Prostate Cancer: A Comprehensive Case Study for Considering Water Networks in Virtual Screening and Drug Design. Journal of medicinal chemistry 67 (1) (2023)
Xujun Zhang, Odin Zhang, Chao Shen, Wanglin Qu, Shicheng Chen, Hanqun Cao, Yu Kang, Zhe Wang, Ercheng Wang, Jintu Zhang, Yafeng Deng, Furui Liu, Tianyue Wang, Hongyan Du, Langcheng Wang, Peichen Pan, Guangyong Chen, Chang-Yu Hsieh, Ting-Jun Hou
Efficient and accurate large library ligand docking with KarmaDock. Nature computational science 3 (9) (2023)
Jintu Zhang, Haotian Zhang, Zhixin Qin, Yu Kang, Xin Hong, Ting-Jun Hou
Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials. Journal of chemical information and modeling (2023)
Dejun Jiang, Zhaofeng Ye, Chang-Yu Hsieh, Ziyi Yang, Xujun Zhang, Yu Kang, Hongyan Du, Zhenxing Wu, Jike Wang, Yundian Zeng, Haotian Zhang, Xiaorui Wang, Mingyang Wang, Xiao-Jun Yao, Shengyu Zhang, Jian Wu, Ting-Jun Hou
MetalProGNet: a structure-based deep graph model for metalloprotein-ligand interaction predictions. Chemical science 14 (8) (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)
Dejun Jiang, Zhaofeng Ye, Chang-Yu Hsieh, Ziyi Yang, Xujun Zhang, Yu Kang, Hongyan Du, Zhenxing Wu, Jike Wang, Yundian Zeng, Haotian Zhang, Xiaorui Wang, Mingyang Wang, Xiao-Jun Yao, Shengyu Zhang, Jian Wu, Ting-Jun Hou
MetalProGNet: a structure-based deep graph model for metalloprotein-ligand interaction predictions. Chemical science 14 (8) (2023)

Ting-Jun Hou.css-eqlu8i{font-size:small;padding-left:4px;} (Tingjun Hou, TingJun Hou)

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Ting-Jun Hou (Tingjun Hou, TingJun Hou)