一、基本信息
魏林，博士，讲师
电子邮件：weilin@hubu.edu.cn;
研究方向：计算机辅助药物设计（CADD）；人工智能药物设计（AIDD）；化学信息学；生物信息学
办公地址：九游会老哥俱乐部B105
二、教育背景
2015.09–2020.06 华中师范大学化学学院，物理化学，理学博士
2010.09–2014.06 华中师范大学化学学院，化学-物理学交叉培养试验班，物理学、化学双学士学位
三、工作经历
2023.07至今 湖北大学，省部共建生物催化与酶工程国家重点实验室，讲师
2021.03–2023.06 中国科学院大连化学物理研究所/深圳晶泰科技有限公司，博士后
2020.09–2021.03 深圳智药科技有限公司，研究员
四、科研项目
1. 中国博士后科学基金面上项目（2021M693128），2021.06-2022.12，主持
五、代表性论文
1. Wei L., Xu M., Liu Z., Jiang C., Lin X., HU Y., Wen X., Zou R., Peng C., Lin H., Wang G., Yang L., Fang L., Yang M., Zhang P., Hit Identification Driven by Combining Artificial Intelligence and Computational Chemistry Methods: A PI5P4K-β Case Study, 2023, 63, 5341-5355
2. Wei L., Chen Y., Liu J., Rao L., Ren Y., Xu X., Wan J., Cov_DOX: A Method for Structure Prediction of Covalent Protein−Ligand Bindings, J. Med. Chem. 2022, 65, 5528−5538.
3. Wei L., Wen W., Rao L., Huang Y., Lei M., Liu K., Hu S., Song R., Ren Y., Wan J., Cov_FB3D: A De Novo Covalent Drug Design Protocol Integrating the BA-SAMP Strategy and Machine-Learning-Based Synthetic Tractability Evaluation, J. Chem. Inf. Model., 2020, 60,4388-4402
4. Wei L., Chi B., Ren Y., Rao L., Wu J., Shang H., Liu J., Xiao Y., Ma M., Xu X., Wan J., Conformation Search Across Multiple-Level Potential-Energy Surfaces (CSAMP): A Strategy for Accurate Prediction of Protein–Ligand Binding Structures, J. Chem. Theory Comput., 2019, 15, 4264-4279.
5. Huang Y., Wei L., Han X., Chen H., Ren Y., Xu Y., Song R., Rao L., Su C., Peng C., Feng L., Wan J., Discovery of novel allosteric site and covalent inhibitors of FBPase with potent hypoglycemic effects, Eur. J. Med. Chem., 2019, 184, 11179.
6. Xiao S., Wei L., Hong Z., Rao L., Ren Y., Wan J., Feng L., Design, synthesis and algicides activities of thiourea derivatives as the novel scaffold aldolase inhibitors, Bioorg. Med. Chem., 2019, 27, 805–812.
7. Han X., Huang Y., Wei L., Chen H., Guo Y., Tang Z., Hu W., Xia Q., Wang Q., Yan J., Ren Y., Biological evaluation and SAR analysis of novel covalent inhibitors against fructose-1,6-bisphosphatase., Bioorg. Med. Chem.,2020, 28,115624
8. Chao H., Xiong K., Qian C., Yuan Y., Wei L., Liao X., He L., Rees T. W., Chen Y., Wan J., Ji L., Necroptosis Induced by Ruthenium(II) Complexes as Dual Catalytic Inhibitors of Topoisomerase I/II, Angew. Chem. Int. Ed., 2020,59,16631-16637.
9. Huang Y., Xu Y., Song R., Ni S., Liu J., Xu Y., Ren Y., Rao L., Wang Y., Wei L., Feng L., Su C., Peng C., Li J., Wan J., Identification of the new covalent allosteric binding site of FBPase with disulfiram derivatives toward glucose reduction, J. Med. Chem., 2020,63,6238-6247.
10. Huang Y., Chi B., Xu Y., Song R., Wei L., Rao L., Feng L., Ren Y., Wan J., In silico screening of a novel scaffold for fructose-1,6-bisphosatase (FBPase) inhibitors, J. Mol. Graph. Model., 2019, 86, 142-148.
