Structure Enhanced Protein-Drug Interaction Prediction using Transformer and Graph Embedding. - Fan Hu; Yishen Hu; Jianye Zhang; Dongqi Wang 004; Peng Yin 006 (BIBM, 2020)

Generating Novel Compounds Targeting SARS-CoV-2 Main Protease Based on Imbalanced Dataset. - Fan Hu; Dongqi Wang 004; Yishen Hu; Jiaxin Jiang; Peng Yin 006 (BIBM, 2020)

A novel framework integrating AI model and enzymological experiments promotes identification of SARS-CoV-2 3CL protease inhibitors and activity-based probe. - Fan Hu; Lei Wang; Yishen Hu; Dongqi Wang 004; Weijie Wang; Jianbing Jiang; Nan Li; Peng Yin 006 (Briefings Bioinform., 2021)

Multi-PLI: interpretable multi-task deep learning model for unifying protein-ligand interaction datasets. - Fan Hu; Jiaxin Jiang; Dongqi Wang 004; Muchun Zhu; Peng Yin 006 (J. Cheminformatics, 2021)

Bridging the gap between target-based and cell-based drug discovery with a graph generative multi-task model. - Fan Hu; Dongqi Wang 004; Huazhen Huang; Yishen Hu; Peng Yin 006 (CoRR, 2022)

Bridging the Gap between Target-Based and Cell-Based Drug Discovery with a Graph Generative Multitask Model. - Fan Hu; Dongqi Wang 004; Huazhen Huang; Yishen Hu; Peng Yin 006 (J. Chem. Inf. Model., 2022)