我们的研究重点
我们以S蛋白为研究重点，以冠状病毒中和抗体筛选为主要探索方向。
| 冠状病毒资源 | 艾滋病毒资源 | 流感病毒 | hepatitis B | hepatitis C | EBV | HPV | HTLV-1 | 病毒数据库 |
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======== 视频教程 ======== |
========= 我们的进展 ========= |
=========== 小组成员入口 =========== |
| 冠状病毒相关论文 | 系统发育动力学 | 抗病毒药物设计 | 计算机辅助疫苗设计 |
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人工智能辅助药物设计 |
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1.Application of Artificial Intelligence in COVID-19 drug repurposing. Diabetes & metabolic syndrome. 2020.7: DOI:10.1016/j.dsx.2020.06.068
2. Rethinking drug design in the artificial intelligence era. NATURE REVIEWS DRUG DISCOVERY. 2020.6: DOI: 10.1038/s41573-019-0050-3
3. Artificial intelligence in chemistry and drug design.JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN. 2020.7
4. The power of deep learning to ligand-based novel drug discovery. EXPERT OPINION ON DRUG DISCOVERY. 2020.5 : DOI: 10.1080/17460441.2020.1745183
5. AI-aided design of novel targeted covalent inhibitors against SARS-CoV-2. bioRxiv : the preprint server for biology: DOI:10.1101/2020.03.03.972133
6.6 Deep Learning in Drug Discovery. MOLECULAR INFORMATICS.2016.1: DOI: 10.1002/minf.201501008
7. The rise of deep learning in drug discovery. DRUG DISCOVERY TODAY. 2018.6: DOI: 10.1016/j.drudis.2018.01.039
8. Deep Docking: A Deep Learning Platform for Augmentation of Structure Based Drug Discovery. ACS CENTRAL SCIENCE. 2020.6:
9. Deep Learning Based Drug Screening for Novel Coronavirus 2019-nCov. INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES. 2020.6
10. Graph convolutional networks for computational drug development and discovery. BRIEFINGS IN BIOINFORMATICS.
11. Machine learning in chemoinformatics and drug discovery. DRUG DISCOVERY TODAY. 2018.8:
12. Exploiting machine learning for end-to-end drug discovery and development. NATURE MATERIALS. 2019.5: DOI: 10.1038/s41563-019-0338-z
13. Applications of machine learning in drug discovery and development. NATURE REVIEWS DRUG DISCOVERY. 2019.6: DOI: 10.1038/s41573-019-0024-5
14. Deep learning in drug discovery: opportunities, challenges and future prospects. DRUG DISCOVERY TODAY. 2019.10: DOI: 10.1016/j.drudis.2019.07.006
15. SyntaLinker: automatic fragment linking with deep conditional transformer neural networks. Chemical Science. 2020.7.