Shiwei Wang

发表

Transfer Learning for Drug Discovery.

Youjun Xu, Jianfeng Pei, L. Lai, 2020, Journal of medicinal chemistry.

Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen

L. Lai, Shiwei Wang, Zheng Guo, 2022, European Journal of Medicinal Chemistry.

PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database

Xia Wang, Weilin Zhang, Luhua Lai, 2017, Nucleic Acids Res..

A transferable deep learning approach to fast screen potential antiviral drugs against SARS-CoV-2

Youjun Xu, Luhua Lai, Qi Sun, 2020, bioRxiv.

CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction

Weilin Zhang, Luhua Lai, Jianfeng Pei, 2018, Nucleic Acids Res..

Deep learning for molecular generation.

Jianfeng Pei, Youjun Xu, Kangjie Lin, 2019, Future medicinal chemistry.

CavitySpace: A Database of Potential Ligand Binding Sites in the Human Proteome

Youjun Xu, Jianfeng Pei, L. Lai, 2022, bioRxiv.

Uncovering the Dominant Motion Modes of Allosteric Regulation Improves Allosteric Site Prediction

Minghua Deng, Youjun Xu, L. Lai, 2021, J. Chem. Inf. Model..

Efficient molecular encoders for virtual screening.

Shiwei Wang, Jianfeng Pei, Youjun Xu, 2019, Drug discovery today. Technologies.

Multiple Target Drug Design Using LigBuilder 3.

Jianfeng Pei, L. Lai, Xiaoyu Qing, 2021, Methods in molecular biology.

DeepRLI: A Multi-objective Framework for Universal Protein--Ligand Interaction Prediction

Jianfeng Pei, Shiwei Wang, Luhua Lai, 2024, 2401.10806.