Chao Shen

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 28

Top Topics

Molecular Dynamics Simulations

Convolutional Neural Network

Machine Learning

Top Venues

Briefings in bioinformatics

Journal of chemical information and modeling

Accounts of chemical research

Chemical science

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

Publications

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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
Chao Shen, Xujun Zhang, Chang-Yu Hsieh, Yafeng Deng, Dong Wang, Lei Xu, Jian Wu, Dan Li, Yu Kang, Ting-Jun Hou, Peichen Pan
A generalized protein-ligand scoring framework with balanced scoring, docking, ranking and screening powers. Chemical science 14 (30) (2023)
Xujun Zhang, Chao Shen, Tianyue Wang, Yu Kang, Dan Li, Peichen Pan, Jike Wang, Gaoang Wang, Yafeng Deng, Lei Xu, Dong-Sheng Cao, Ting-Jun Hou, Zhe Wang
Topology-Based and Conformation-Based Decoys Database: An Unbiased Online Database for Training and Benchmarking Machine-Learning Scoring Functions. Journal of medicinal chemistry (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 (2022)
Xujun Zhang, Chao Shen, Ben Liao, De-Jun Jiang, Jike Wang, Zhenxing Wu, Hongyan Du, Tianyue Wang, Wenbo Huo, Lei Xu, Dong-Sheng Cao, Chang-Yu Hsieh, Ting-Jun Hou
TocoDecoy: A New Approach to Design Unbiased Datasets for Training and Benchmarking Machine-Learning Scoring Functions. Journal of medicinal chemistry 65 (11) (2022)
Chao Shen, Xujun Zhang, Yafeng Deng, Junbo Gao, Dong Wang, Lei Xu, Peichen Pan, Ting-Jun Hou, Yu Kang
Boosting Protein-Ligand Binding Pose Prediction and Virtual Screening Based on Residue-Atom Distance Likelihood Potential and Graph Transformer. Journal of medicinal chemistry 65 (15) (2022)
Mingyang Wang, Chang-Yu Hsieh, Jike Wang, Dong Wang, Gaoqi Weng, Chao Shen, Xiaojun Yao, Zhitong Bing, HongLin Li, Dong-Sheng Cao, Ting-Jun Hou
RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design. Journal of medicinal chemistry 65 (13) (2022)
Dan Li, Wenfang Zhou, Jinping Pang, Qin Tang, Bingling Zhong, Chao Shen, Li Xiao, Ting-Jun Hou
A magic drug target: Androgen receptor. Medicinal research reviews 39 (5) (2018)