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Tingyang Xu

Showing results (11-20 of 21) with videos related to

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Journal of Medicinal Chemistry|September 17, 2021
Generative Models for De Novo Drug DesignXiaochu Tong, Xiaohong Liu, Xiaoqin Tan, et al.
Computational and Structural Biotechnology Journal|July 1, 2021
WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithmQifeng Bai, Jian Ma, Shuo Liu, et al.
Nature Communications|March 27, 2024
A dual diffusion model enables 3D molecule generation and lead optimization based on target pocketsLei Huang, Tingyang Xu, Yang Yu, et al.
ACS Omega|September 13, 2021
A Novel Scalarized Scaffold Hopping Algorithm with Graph-Based Variational Autoencoder for Discovery of JAK1 InhibitorsYang Yu, Tingyang Xu, Jiawen Li, et al.
Bioinformatics (Oxford, England)|October 13, 2021
Multi-instance learning of graph neural networks for aqueous pKa predictionJiacheng Xiong, Zhaojun Li, Guangchao Wang, et al.
Journal of Cheminformatics|July 7, 2022
Blood-brain barrier penetration prediction enhanced by uncertainty estimationXiaochu Tong, Dingyan Wang, Xiaoyu Ding, et al.
Frontiers in Plant Science|July 16, 2025
Study on the mechanism of exogenous CaCl<sub>2</sub> regulating cell growth and development to alleviate salt tolerance of alfalfa (<i>Medicago sativa</i>)Huhu Liu, Ling Pan, Irshad Ahmad, et al.
Journal of Medicinal Chemistry|November 25, 2021
Discovery of Pyrazolo[3,4-<i>d</i>]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological EvaluationXiaoqin Tan, Chunpu Li, Ruirui Yang, et al.
Nature Communications|November 23, 2024
Generative learning assisted state-of-health estimation for sustainable battery recycling with random retirement conditionsShengyu Tao, Ruifei Ma, Zixi Zhao, et al.
Nature Communications|December 9, 2025
De novo design of epitope-specific antibodies via a structure-driven computational workflowFandi Wu, Yu Zhao, JiaXiang Wu, et al.
Pageof 3

Showing results (11-20 of 21) with videos related to

Sort By:
Pageof 3
Journal of Medicinal Chemistry|September 17, 2021
Generative Models for De Novo Drug DesignXiaochu Tong, Xiaohong Liu, Xiaoqin Tan, et al.
Computational and Structural Biotechnology Journal|July 1, 2021
WADDAICA: A webserver for aiding protein drug design by artificial intelligence and classical algorithmQifeng Bai, Jian Ma, Shuo Liu, et al.
Nature Communications|March 27, 2024
A dual diffusion model enables 3D molecule generation and lead optimization based on target pocketsLei Huang, Tingyang Xu, Yang Yu, et al.
ACS Omega|September 13, 2021
A Novel Scalarized Scaffold Hopping Algorithm with Graph-Based Variational Autoencoder for Discovery of JAK1 InhibitorsYang Yu, Tingyang Xu, Jiawen Li, et al.
Bioinformatics (Oxford, England)|October 13, 2021
Multi-instance learning of graph neural networks for aqueous pKa predictionJiacheng Xiong, Zhaojun Li, Guangchao Wang, et al.
Journal of Cheminformatics|July 7, 2022
Blood-brain barrier penetration prediction enhanced by uncertainty estimationXiaochu Tong, Dingyan Wang, Xiaoyu Ding, et al.
Frontiers in Plant Science|July 16, 2025
Study on the mechanism of exogenous CaCl<sub>2</sub> regulating cell growth and development to alleviate salt tolerance of alfalfa (<i>Medicago sativa</i>)Huhu Liu, Ling Pan, Irshad Ahmad, et al.
Journal of Medicinal Chemistry|November 25, 2021
Discovery of Pyrazolo[3,4-<i>d</i>]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological EvaluationXiaoqin Tan, Chunpu Li, Ruirui Yang, et al.
Nature Communications|November 23, 2024
Generative learning assisted state-of-health estimation for sustainable battery recycling with random retirement conditionsShengyu Tao, Ruifei Ma, Zixi Zhao, et al.
Nature Communications|December 9, 2025
De novo design of epitope-specific antibodies via a structure-driven computational workflowFandi Wu, Yu Zhao, JiaXiang Wu, et al.
Pageof 3