Professor | Yu Kang | Asia Growth Partners

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Name	Yu Kang
Contact Information	yukang@zju.edu.cn
Language ability	Chinese, English
Province	Zhejiang

Upload Avatar (500 x 500)

Name

Yu Kang

Contact Information

yukang@zju.edu.cn

Language ability

Chinese, English

Province

Zhejiang

University/Lab Affiliation and Title	Zhejiang University
Faculty	Pharmaceutical Sciences

University/Lab Affiliation and Title

Zhejiang University

Faculty

Pharmaceutical Sciences

Areas of Focus	Computer-Aided Drug Design Molecular Simulation and Machine Learning
Publications	AMGC is a multiple-task graph neutral network for epigenetic target profiling, Gu S, Bao L, Yang Y, Zhao Y, Tong HHY, Liu L, Liu H, Hou T, Kang Y, 2024 Learning on topological surface and geometric structure for 3D molecular generation, Zhang O, Wang T, Weng G, Jiang D, Wang N, Wang X, Zhao H, Wu J, Wang E, Chen G, Deng Y, Pan P, Kang Y, Hsieh C-Y, Hou T, 2023 FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization, Jin J, Wang D, Shi G, Bao J, Wang J, Zhang H, Pan P, Li D, Yao X, Liu H, Hou T, Kang Y, 2023 Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue-Atom Distance Likelihood Potential and Graph Transformer, Shen C, Zhang X, Deng Y, Gao J, Wang D, Xu L, Pan P, Hou T, Kang Y, 2022 TB-IECS: An accurate machine learning-based scoring function for virtual screening, Zhang X, Shen C, Jiang D, Zhang J, Ye Q, Xu L, Hou T, Pan P, Kang Y, 2023 SDEGen: Learning to Evolve Molecular Conformations from Thermodynamic Noise for Conformation Generation, Zhang H, Li S, Zhang J, Wang Z, Wang J, Jiang D, Bian Z, Zhang Y, Deng Y, Song J, Kang Y, Hou T, 2023 Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems, Zhao Y, Zhang J, Zhang H, Gu S, Deng Y, Tu Y, Hou T, Kang Y, 2023 Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?, Gu S, Shen C, Yu J, Zhao H, Liu H, Liu L, Sheng R, Xu L, Wang Z, Hou T, Kang Y, 2023 基于深度学习的全新药物设计研究进展, Wang MY, Li D, Hou TJ, Kang Y, 2023 Discovery of novel non-nucleoside inhibitors with high potency and selectivity for DNA methyltransferase 3A, Yu J, Chai X, Pang J, Wang Z, Zhao H, Xie T, Xu L, Sheng R, Li D, Zeng S, Hou T, Kang Y, 2022 Integrative Modeling of PROTAC-Mediated Ternary Complexes, Weng G, Li D, Kang Y, Hou T, 2021 Bacteriophage tailspikes and bacterial O-antigens as a model system to study weak-affinity protein-polysaccharide interactions, Kang Y, Gohlke U, Engström O, Hamark C, Scheidt T, Heinemann U, Widmalm G, Santer M, Barbirz S, 2016

Areas of Focus

Computer-Aided Drug Design
Molecular Simulation and Machine Learning

Publications

AMGC is a multiple-task graph neutral network for epigenetic target profiling, Gu S, Bao L, Yang Y, Zhao Y, Tong HHY, Liu L, Liu H, Hou T, Kang Y, 2024
Learning on topological surface and geometric structure for 3D molecular generation, Zhang O, Wang T, Weng G, Jiang D, Wang N, Wang X, Zhao H, Wu J, Wang E, Chen G, Deng Y, Pan P, Kang Y, Hsieh C-Y, Hou T, 2023
FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization, Jin J, Wang D, Shi G, Bao J, Wang J, Zhang H, Pan P, Li D, Yao X, Liu H, Hou T, Kang Y, 2023
Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue-Atom Distance Likelihood Potential and Graph Transformer, Shen C, Zhang X, Deng Y, Gao J, Wang D, Xu L, Pan P, Hou T, Kang Y, 2022
TB-IECS: An accurate machine learning-based scoring function for virtual screening, Zhang X, Shen C, Jiang D, Zhang J, Ye Q, Xu L, Hou T, Pan P, Kang Y, 2023
SDEGen: Learning to Evolve Molecular Conformations from Thermodynamic Noise for Conformation Generation, Zhang H, Li S, Zhang J, Wang Z, Wang J, Jiang D, Bian Z, Zhang Y, Deng Y, Song J, Kang Y, Hou T, 2023
Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems, Zhao Y, Zhang J, Zhang H, Gu S, Deng Y, Tu Y, Hou T, Kang Y, 2023
Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?, Gu S, Shen C, Yu J, Zhao H, Liu H, Liu L, Sheng R, Xu L, Wang Z, Hou T, Kang Y, 2023
基于深度学习的全新药物设计研究进展, Wang MY, Li D, Hou TJ, Kang Y, 2023
Discovery of novel non-nucleoside inhibitors with high potency and selectivity for DNA methyltransferase 3A, Yu J, Chai X, Pang J, Wang Z, Zhao H, Xie T, Xu L, Sheng R, Li D, Zeng S, Hou T, Kang Y, 2022
Integrative Modeling of PROTAC-Mediated Ternary Complexes, Weng G, Li D, Kang Y, Hou T, 2021
Bacteriophage tailspikes and bacterial O-antigens as a model system to study weak-affinity protein-polysaccharide interactions, Kang Y, Gohlke U, Engström O, Hamark C, Scheidt T, Heinemann U, Widmalm G, Santer M, Barbirz S, 2016

Drug Design Computational Biology Machine Learning Molecular Simulation Virtual Screening Scoring Functions Protein-Ligand Binding Graph Neural Networks Enhanced Sampling Drug Metabolism

Tingjun Hou - Zhejiang University

Peichen Pan - Zhejiang University

Yi-Fei Qi - Fudan University

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