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Journal of Medicinal Chemistry
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September 17, 2024
GPCRSPACE: A New GPCR Real Expanded Library Based on Large Language Models Architecture and Positive Sample Machine Learning Strategies
Shiming Chen, Feisheng Zhong
Journal of Medicinal Chemistry
|
March 8, 2025
Folding-Based End-To-End Chemical Drug Design with Uncertainty Estimation: Tackling Hallucination in the Post-GPT Era
Feisheng Zhong, Rongcai Yue, Jinxing Chen, et al.
Briefings in Bioinformatics
|
July 11, 2024
Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining
Wenkai Xiang, Feisheng Zhong, Lin Ni, et al.
Current Opinion in Structural Biology
|
January 25, 2022
Graph neural network approaches for drug-target interactions
Zehong Zhang, Lifan Chen, Feisheng Zhong, et al.
Bioinformatics (Oxford, England)
|
May 20, 2020
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments
Lifan Chen, Xiaoqin Tan, Dingyan Wang, et al.
Journal of Molecular Graphics & Modelling
|
January 22, 2026
Molecular mechanisms of aquaporin 1 inhibition by Bacopaside I and Bacopaside II: Insights from molecular dynamics simulations
Mingyu Wei, Zien Yu, Chi Huang, et al.
Journal of Medicinal Chemistry
|
August 14, 2019
Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism
Zhaoping Xiong, Dingyan Wang, Xiaohong Liu, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
March 1, 2021
Regulating Glucose Metabolism with Prodrug Nanoparticles for Promoting Photoimmunotherapy of Pancreatic Cancer
Fang Sun, Qiurong Zhu, Tianliang Li, et al.
Bioinformatics (Oxford, England)
|
October 13, 2021
Multi-instance learning of graph neural networks for aqueous pKa prediction
Jiacheng Xiong, Zhaojun Li, Guangchao Wang, et al.
Bioinformatics (Oxford, England)
|
June 23, 2019
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules
Zhaojun Li, Xutong Li, Xiaohong Liu, et al.
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of 2
Search research articles
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Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Medicinal Chemistry
|
September 17, 2024
GPCRSPACE: A New GPCR Real Expanded Library Based on Large Language Models Architecture and Positive Sample Machine Learning Strategies
Shiming Chen, Feisheng Zhong
Journal of Medicinal Chemistry
|
March 8, 2025
Folding-Based End-To-End Chemical Drug Design with Uncertainty Estimation: Tackling Hallucination in the Post-GPT Era
Feisheng Zhong, Rongcai Yue, Jinxing Chen, et al.
Briefings in Bioinformatics
|
July 11, 2024
Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining
Wenkai Xiang, Feisheng Zhong, Lin Ni, et al.
Current Opinion in Structural Biology
|
January 25, 2022
Graph neural network approaches for drug-target interactions
Zehong Zhang, Lifan Chen, Feisheng Zhong, et al.
Bioinformatics (Oxford, England)
|
May 20, 2020
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments
Lifan Chen, Xiaoqin Tan, Dingyan Wang, et al.
Journal of Molecular Graphics & Modelling
|
January 22, 2026
Molecular mechanisms of aquaporin 1 inhibition by Bacopaside I and Bacopaside II: Insights from molecular dynamics simulations
Mingyu Wei, Zien Yu, Chi Huang, et al.
Journal of Medicinal Chemistry
|
August 14, 2019
Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism
Zhaoping Xiong, Dingyan Wang, Xiaohong Liu, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
March 1, 2021
Regulating Glucose Metabolism with Prodrug Nanoparticles for Promoting Photoimmunotherapy of Pancreatic Cancer
Fang Sun, Qiurong Zhu, Tianliang Li, et al.
Bioinformatics (Oxford, England)
|
October 13, 2021
Multi-instance learning of graph neural networks for aqueous pKa prediction
Jiacheng Xiong, Zhaojun Li, Guangchao Wang, et al.
Bioinformatics (Oxford, England)
|
June 23, 2019
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules
Zhaojun Li, Xutong Li, Xiaohong Liu, et al.
Page
of 2