Jiashun Mao

Transformer-Based Molecular Generative Model for Antiviral Drug Design

Jiashun Mao, Jianmin Wang, Amir Zeb et al. · Journal of Chemical Information and Modeling · 2023 · 71 citations · Full text

Pharmacy, Medicinal Chemistry, Computational Chemistry +12

<i>De novo</i> molecular design with deep molecular generative models for PPI inhibitors

Jianmin Wang, Yanyi Chu, Jiashun Mao et al. · Briefings in Bioinformatics · 2022 · 58 citations

Pharmacy, Medicinal Chemistry, Pharmacology +16

Application of a deep generative model produces novel and diverse functional peptides against microbial resistance

Jiashun Mao, Shenghui Guan, Yongqing Chen et al. · Computational and Structural Biotechnology Journal · 2022 · 35 citations · Full text

Life Sciences, Bioengineering, Biotechnology +16

Exploring the Conformational Ensembles of Protein–Protein Complex with Transformer-Based Generative Model

Jianmin Wang, Xun Wang, Yanyi Chu et al. · Journal of Chemical Theory and Computation · 2024 · 24 citations

Life Sciences, Biochemistry, Biophysics +17

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, J S Kim et al. · International Journal of Molecular Sciences · 2024 · 16 citations · Full text

Pharmacy, Medicinal Chemistry, Molecular Biology +17