基本情况 | 安小丽，女，甘肃天水人，博士、讲师。从事化学工程学院制药工程教学科研工作。 | |
研究方向 | 计 计算机辅助药物设计，G-蛋白偶联受体（GPCRs）多位点之间的别构协同调控机 制的分子模拟研究，基于多种构象采样分子模拟的化合物筛选与发现 | |
学习及工作经历 | 2023.04-至今 | 四川轻化工大学，化学工程学院，讲师 |
2019.09至2020.03 | 石河子大学，药学院，讲师 | |
2014.09至2019.06 | 兰州大学，化工学院，博士 | |
2010.09至2014.06 | 兰州大学，药学院，学士 | |
教学工作 | 从事制药工程教学科研工作，主要从事《药物化学》、《药理学》及《科技论文写作》课程教学 | |
科研项目 |
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科研成果 | (1) Tian, Jiaqi; Dong, Xin; Wu, Tianshuo; Wen, Pengbo; Liu, Xin; Zhang, Mengying; An, Xiaoli; Shi, Danfeng ; Revealing the conformational dynamics of UDP-GlcNAc recognition by O-GlcNAc transferase via Markov state model, International Journal of Biological Macromolecules, 2024, 256. (2) An XL, Niu YZ, Yang Q, Yang L, Yao XJ, Bing ZT. Investigating the Dynamic Binding Behavior of PMX53 Cooperating with Allosteric Antagonist NDT9513727 to C5a Anaphylatoxin Chemotactic Receptor 1 through Gaussian Accelerated Molecular Dynamics and Free-Energy Perturbation Simulations. ACS Chem. Neurosci., 2022, 13(23), 3502–3511. (3) An XL, Bai QF, Bing ZT, Liu HX, Yao XJ. Insights into the molecular mechanism of positive cooperativity between partial agonist MK-8666 and full allosteric agonist AP8 of hGPR40 by Gaussian accelerated molecular dynamics (GaMD) simulations. Comput. Struct. Biotechnol. J., 2021, 19, 3978–3989. (4) An XL, Bai QF, Bing ZT, Liu HL, Zhang QQ, Liu HX, Yao XJ. Revealing the Positive Binding Cooperativity Mechanism between the Orthosteric and the Allosteric Antagonists of CCR2 by Metadynamics and Gaussian Accelerated Molecular Dynamics Simulations. ACS Chem. Neurosci., 2020, 11 (4), 628-637. (5) An XL, Bai QF, Bing ZT, Zhou SY, Shi DF, Liu HX, Yao XJ.How Does Agonist and Antagonist Binding Lead to Different Conformational Ensemble Equilibria of the κ-Opioid Receptor: Insight from Long-Time Gaussian Accelerated Molecular Dynamics Simulation.ACS Chem. Neurosci., 2019, 10 (3), 1575-1584. (6) An XL, Lu SY, Song K, Shen QC, Huang ML, Yao XJ, Liu HX, Zhang J. Are the apo proteins suitable for the rational discovery of allosteric drugs? J. Chem. Inf. Model., 2019, 59 (1), 597-604. (7) An XL, Bai QF, Bai F, Shi DF, Liu HX, Yao XJ. Deciphering the Allosteric Effect of Antagonist Vismodegib on Smoothened Receptor Deactivation Using Metadynamics Simulation. Front. Chem., 2019, 7, 406. | |
荣誉与获奖 |
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