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Methods (San Diego, Calif.)
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January 22, 2023
Explore drug-like space with deep generative models
Jianmin Wang, Jiashun Mao, Meng Wang, et al.
Molecular Diversity
|
July 3, 2025
IUPAC-GPT: an IUPAC-based large-scale molecular pre-trained model for property prediction and molecule generation
Jiashun Mao, Tang Sui, Kwang-Hwi Cho, et al.
Bioorganic Chemistry
|
February 24, 2020
A new class of 1,3,5-triazine-based selective estrogen receptor degraders (SERDs): Lead optimization, molecular docking and dynamic simulation
Xiang Lu, Ali Huang, Maoxu Xiao, et al.
Journal of Computer-Aided Molecular Design
|
July 18, 2025
Comparison study of dominant molecular sequence representation based on diffusion model
Yongrui Cui, Dongjing Shan, Qiheng Lu, et al.
Heliyon
|
August 26, 2022
Development of an innovative data-driven system to generate descriptive prediction equation of dielectric constant on small sample sets
Jiashun Mao, Amir Zeb, Min Sung Kim, et al.
Computational and Structural Biotechnology Journal
|
January 9, 2023
Application of a deep generative model produces novel and diverse functional peptides against microbial resistance
Jiashun Mao, Shenghui Guan, Yongqing Chen, et al.
International Journal of Molecular Sciences
|
May 25, 2024
Leveraging the Fragment Molecular Orbital and MM-GBSA Methods in Virtual Screening for the Discovery of Novel Non-Covalent Inhibitors Targeting the TEAD Lipid Binding Pocket
Jongwan Kim, Haiyan Jin, Jinhyuk Kim, et al.
Journal of Pharmaceutical Analysis
|
July 18, 2025
Diffusion-based generative drug-like molecular editing with chemical natural language
Jianmin Wang, Peng Zhou, Zixu Wang, et al.
Journal of Chemical Information and Modeling
|
June 27, 2023
Transformer-Based Molecular Generative Model for Antiviral Drug Design
Jiashun Mao, Jianmin Wang, Amir Zeb, et al.
Cancer Genomics & Proteomics
|
October 30, 2019
Seeking mTORC1 Inhibitors Through Molecular Dynamics Simulation of Arginine Analogs Inhibiting CASTOR1
Liang Sun, Xinyu Li, Jun Pan, et al.
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of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
Methods (San Diego, Calif.)
|
January 22, 2023
Explore drug-like space with deep generative models
Jianmin Wang, Jiashun Mao, Meng Wang, et al.
Molecular Diversity
|
July 3, 2025
IUPAC-GPT: an IUPAC-based large-scale molecular pre-trained model for property prediction and molecule generation
Jiashun Mao, Tang Sui, Kwang-Hwi Cho, et al.
Bioorganic Chemistry
|
February 24, 2020
A new class of 1,3,5-triazine-based selective estrogen receptor degraders (SERDs): Lead optimization, molecular docking and dynamic simulation
Xiang Lu, Ali Huang, Maoxu Xiao, et al.
Journal of Computer-Aided Molecular Design
|
July 18, 2025
Comparison study of dominant molecular sequence representation based on diffusion model
Yongrui Cui, Dongjing Shan, Qiheng Lu, et al.
Heliyon
|
August 26, 2022
Development of an innovative data-driven system to generate descriptive prediction equation of dielectric constant on small sample sets
Jiashun Mao, Amir Zeb, Min Sung Kim, et al.
Computational and Structural Biotechnology Journal
|
January 9, 2023
Application of a deep generative model produces novel and diverse functional peptides against microbial resistance
Jiashun Mao, Shenghui Guan, Yongqing Chen, et al.
International Journal of Molecular Sciences
|
May 25, 2024
Leveraging the Fragment Molecular Orbital and MM-GBSA Methods in Virtual Screening for the Discovery of Novel Non-Covalent Inhibitors Targeting the TEAD Lipid Binding Pocket
Jongwan Kim, Haiyan Jin, Jinhyuk Kim, et al.
Journal of Pharmaceutical Analysis
|
July 18, 2025
Diffusion-based generative drug-like molecular editing with chemical natural language
Jianmin Wang, Peng Zhou, Zixu Wang, et al.
Journal of Chemical Information and Modeling
|
June 27, 2023
Transformer-Based Molecular Generative Model for Antiviral Drug Design
Jiashun Mao, Jianmin Wang, Amir Zeb, et al.
Cancer Genomics & Proteomics
|
October 30, 2019
Seeking mTORC1 Inhibitors Through Molecular Dynamics Simulation of Arginine Analogs Inhibiting CASTOR1
Liang Sun, Xinyu Li, Jun Pan, et al.
Page
of 2