潘显超，男，1987年9月出生，博士、副教授、硕士研究生导师，四川省生物信息学会会员。近年来主要从事致病蛋白的结构-动态-功能及药物分子智能化设计等研究。目前在相关领域杂志发表SCI收录论文30余篇,主持四川省科技厅面上项目、四川省科技计划联合创新专项等科研课题6项。

研究方向：

1.蛋白结构-动态-功能及分子调控机理;

2.人工智能驱动的药物分子设计。

招收硕士研究生学科方向：105500药学硕士 (全日制)

欢迎药学、生物学、药物化学等相关专业背景学生报考本学科方向研究生!

代表性论文：

1. Gao, Y.J.; Wei, C.Y.; Luo, L.X.; Tang, Y.; Yu, Y.Z.; Li, Y.L.; Xing, J.* Pan, X.C.* Membrane-Assisted Tariquidar Access and Binding Mechanisms of Human ATP-Binding Cassette Transporter P-glycoprotein. Frontiers in molecular biosciences, 2024, 11.

2. Zhang, X.L.; Qiao, Y.R.; Han, R.L.; Gao, Y.J.; Yang, X.; Zhang, Y.; Wan, Y.; Yu, W.; Pan, X.C.*; Xing, J.* A Charcot-Marie-Tooth-Causing Mutation in HSPB1 Decreases Cell Adaptation to Repeated Stress by Disrupting Autophagic Clearance of Misfolded Proteins. Cells, 2022, 11(18): 2886.

3. Huang, S.H.; Gao, Y.J.; Zhang, X.L.; Lu, J.; Wei, J.; Mei, H.; Xing, J.*; Pan, X.C.* Development of Simple and Accurate in Silico Ligand-Based Models for Predicting ABCG2 Inhibition, Frontiers in chemistry, 10: 863146.

4. Huang, S. H.; Mei, H.*; Lu, L. C.; Qiu, M. Y.; Liang, X. Q.; Xu, L.; Kuang, Z. Y.; Heng, Y.; Pan, X. C.* De Novo Molecular Design of Caspase-6 Inhibitors by a GRU-Based Recurrent Neural Network Combined with a Transfer Learning Approach. Pharmaceuticals, 2021, 14 (12): 1249.

5. Heng, Y.; Kuang, Z. Y.; Xie, W. Z.; Lan, H. Q.; Huang, S. H.; Chen, L. X.; Shi, T. T.; Xu, L.; Pan, X. C.*; Mei, H.* A simple pan-specific RNN model for predicting HLA-II binding peptides. Molecular Immunology, 2021, 139, 177-183.

6. Huang, S. H.; Mei, H.*; Lu, L. C.; Kuang, Z. Y.; Heng, Y.; Xu, L.; Liang, X. Q.; Qiu, M. Y.; Pan, X. C.* Conformational transitions of caspase-6 in substrate-induced activation process explored by perturbation-response scanning combined with targeted molecular dynamics. Computational and structural biotechnology journal, 2021, 19, 4156-4164.

7. Huang, S. H.; Chen, L. X.; Mei, H.*; Zhang, D.; Shi, T. T.; Kuang, Z. Y.; Heng, Y.; Xu, L.; Pan, X. C.* In silico prediction of the dissociation rate constants of small chemical ligands by 3d-grid-based volsurf method, International journal of molecular sciences, 2020, 21(7): 2456.

8. Xing, J.; Mei, H.*; Huang, S.H.; Zhang, D.; Pan, X. C.* An Energetically Favorable Ligand Entrance Gate of a Multidrug Transporter Revealed by Partial Nudged Elastic Band Simulations, Computational and Structural Biotechnology Journal, 2019, 17: 319-323.

9. Huang, S. H.; Mei, H.*; Zhang, D.; Ren, Y. B.; Kevin, M.; Pan, X. C.* The emerging chemical patterns applied in predicting human toll-like receptor 8 agonists, MedChemComm, 2018, 9(11): 1961-1971.

10. Pan, X. C.; Mei, H.*; Qu, S. J.; Huang, S. H.; Sun, J. Y.; Yang, L.; Chen, H. Prediction and characterization of P-glycoprotein substrates potentially bound to different sites by emerging chemical pattern and hierarchical cluster analysis, International Journal of Pharmaceutics, 2016, 502(1-2): 61-69.

单位：西南医科大学药学院药物化学教研室

通讯地址：泸州市龙马潭区香林路1段1号西南医科大学

邮箱：panxc@swmu.edu.cn