张璐，女，理学博士，研究员，博士生导师。2013年毕业于香港科技大学，获博士学位。2013年至2017年1月在香港科技大学进行博士后研究。2017年1月以高层次人才引进到中科院福建物质结构研究所工作, 任研究员。2017年入选国家第十三批“****计划”，入选福建省“****”，海西院“**计划”，海西院“团队人才计划”，荣获“福建省青年岗位能手”称号。
电子邮件： luzhang@fjirsm.ac.cn
通信地址： 纳米楼1009
邮政编码： 350002
研究领域
运用理论计算方法研究复杂生物体系中的重要物理化学过程。结合分子动力学模拟，马尔科夫态动力学网络模型，量子力学计算手段，以及分子力场，探索复杂凝聚态体系内功能相关的分子机制，并设计调控手段，包括各种RNA、DNA聚合酶的转录机理， 光合作用体系内的能量转移和电子转移等。
招生信息
招收博士生和硕士生，运用理论计算方法研究复杂生物体系中的重要物理化学过程。要求学生有物理化学基础，具备一定的编程能力。
教育背景
工作经历
2017-01至今，中科院福建物构所，研究员
2013-06~2017-01,香港科技大学, 博士后
人才项目
2017年入选第十三批国家“****”青年项目，入选福建省“****”，入选海西研究院“****”和海西院“团队人才计划”
文章列表
1. Zhang L.*#, Zhang, D., Wang, X., Yuan, C., Li, Y., Jia, X., Gao, X., Yen, H.-L., Cheung, P. P.-H.*, Huang, X.*, “1'-Ribose Cyano Substitution Allows Remdesivir to Effectively Inhibit Nucleotide Addition and Proofreading during SARS-CoV-2 Viral RNA Replication.”, Phys. Chem. Chem. Phys., DOI: 10.1039/d0cp05948j, 2021
2. Wang, L.#, Zhang, J.#, Han, M.-J.#, Zhang, L.#, Chen, C.#, Huang, A.#, Xie, R., Wang, G., Zhu, J., Wang, Y., Liu, X.*, Zhuang, W.*, Li, Y.*, Wang, J.*, “A Genetically Encoded Two Dimensional Infrared Probe for Enzyme Active-Site Dynamics”, Angew. Chem. Int. Ed., DOI: 10.1002/anie.202016880, 2021
3. Jia X., Zhou, Q., Chen, J., Zhang L.*, Chen, Z.-N.*, “Theoretical Insight into the Structural Nonplanarity in Aromatic Fused-ring Metallabenzenes”, J. Phys. Chem. A, 124 (35), 7071–7079 (2020)
4. Peng S.#, Wang X.#, Zhang L.*#, Wu S., Zhao X.*, Huang X.*, Chen C.*, “Target Search and Recognition Mechanisms of Glycosylase AlkD Revealed by Scanning FRET-FCS and Markov State Models”, Proc. Nat. Acad. Sci. U.S.A. 117 (36), 21889–21895 (2020)
5. Zhang L.*#, Wu S.#, Feng Y.#, Wang D., Jia X., Liu Z., Liu J., Wang W.*, “Ligand-bound Glutamine Binding Protein Assumes Multiple Metastable Binding Sites with Different Binding Affinities”, Commun. Biol., 3, 419 (2020)
6. Zhang, X., Wang, Z., Chen, Z.-N., Li, H., Zhang, L., Ye, J., Zhang, Q.*, Zhuang, W.*, “Molecular Mechanism of Water Reorientation Dynamics in Dimethyl Sulfoxide Aqueous Mixtures”, J. Phys. Chem. B, 124 (9), 1806–1816 (2020)
7. Wu T.#*, Chen X.#, Xie H., Chen Z.-N., Zhang L., Pan Z., Zhuang W.*, “Coupling of Spin-orbit Interaction with Phonon Anharmonicity Leads to Significant Impact on Thermoelectricity in SnSe”, Nano Energy, 60, 673–679 (2019)
8. Long F., Chen Z., Han K.*, Zhang L.*, Zhuang W.*, “Differentiation between Enamines and Tautomerizable Imines Oxidation Reaction Mechanism using Electron-Vibration-Vibration Two Dimensional Infrared Spectroscopy”, Molecules, 24 (5), 869 (2019)
9. Hsieh S.-T., Zhang L., Ye D.-W., Huang X.*, Cheng Y.-C.*, “A Theoretical Study on the Dynamics of Light Harvesting in the Dimeric Photosystem II Core Complex: Regulation and Robustness of Energy Transfer Pathways”, Faraday Discuss., 216, 94–115 (2019)
10. Chen X., Song J., Chen Z.-N., Jin T., Long F., Xie H., Zheng Y.,* Zhuang W.,* Zhang L.*, “Rational Designing of 8-Hydroxyquinolin-Imidazolinone-Based Fluorescent Protein Mutants with Dramatically Red: A Computational Study”, J. Comput. Chem., 39, 2307–2315 (2018)
11. Zhang X., Zhang L., Jin T., Zhang Q.* & Zhuang W.*, “Cosolvent Effect on the Dynamics of Water in Aqueous Binary Mixtures”, Mol. Phys., 116 (7-8), 1014–1025 (2018)
12. Zhang Q.#, Pan Z.#, Zhang L.#, Zhang R., Chen Z.-N., Jin T., Wu T., Chen X., Zhuang W., “Ion Effect on the Dynamics of Water Hydrogen Bonding Network: A Theoretical and Computational Spectroscopy Point of View”, WIREs Comput. Mol. Sci., e1373 (2018)
13. Molodtsov, V., Sineva, E., Zhang, L., Huang, X., Cashel, M., Ades, S. E., Murakami, K. S., “Allosteric Effector ppGpp Potentiates the Inhibition of Transcript Initiation by DksA”, Mol. Cell, 69 (5), 828 (2018)
14. Zhang, X.#, Zhang L.#, Jin T., Pan Z., Chen Z.-N., Zhang Q.*, and Zhuang W.*, “Salting-in/Salting-out Mechanism of Carbon Dioxide in Aqueous Electrolyte Solutions”, Chinese J. Chem. Phys., 30, 811 (2017)
15. Chevalier, A., Silva, D.-A., Rocklin, G. J., Hicks D. R., Vergara R., Murapa P., Bernard S. M., Zhang, L., Lam K. H., Yao G., Bahl C.D., Miyashita S.I., Goreshnik I., Fuller J.T., Koday M.T., Jenkins C. M., Colvin T., Carter L., Bohn A., Bryan C.M., Fernández-Velasco D. A., Stewart L., Dong M., Huang, X., Jin, R., Wilson, I. A., Fuller, D. H., Baker, D., “Massively Parallel de novo Protein Design for Targeted Therapeutics”, Nature, 550, 74–79, (2017)
16. Zheng, X., Zhu, L., Zeng, X., Meng, L., Zhang, L., Wang, D., Huang, X., “Kinetics-Controlled Amphiphile Self-Assembly Processes”, J. Phys. Chem. Lett., 8, 1798–1803 (2017)
17. Feng, Y.#, Zhang, L.#, Wu, S., Liu, Z., Gao, X., Zhang, X., Liu, M., Liu, J., Huang, X.*, Wang, W.*, “Conformational Dynamics of apo-GlnBP Revealed by Experimental and Computational Analysis”, Angew. Chem. Int. Ed. 55 (45), 13990–13994 (2016)
18. Lin, H., Chen, S., Hu, H., Zhang, L., Ma, T., Lai, J. Y. L., Li, Z., Qin, A., Huang, X., Tang, B. and Yan, H., “Reduced Intramolecular Twisting Improves the Performance of 3D Molecular Acceptors in Non-Fullerene Organic Solar Cells”, Adv. Mater. 28 (38), 8546-8551 (2016)
19. Zhang, L., Jiang H., Sheong F. K., Pardo-Avila F., Cheung P. P.-H., Huang X., “Constructing Kinetic Network Models to Elucidate Mechanisms of Functional Conformational Changes of Enzymes and their Recognition with Ligands”, Book Chapter, Methods Enzymol., Computational approaches for studying Enzyme Mechanism, (Editor G.A. Voth), 578, 343–371 (2016)
20. Zhang, L., Pardo-Avila, F., Unarta, C. I., Cheung, P.-H. P., Wang, G., Wang, D., and Huang, X., “Elucidation of the Dynamics of Transcription Elongation by RNA Polymerase II using Kinetic Network Models”, Acc. Chem. Res. 49 (4), 687–694 (2016)
21. Da, L.-T., Pardo-Avila, F., Xu, L., Silva, D.-A., Zhang, L., Gao, X., Wang, D., Huang, X., “Bridge Helix Bending Promotes RNA Polymerase II Backtracking through a Critical and Conserved Threonine Residue”, Nat. Commun. 7, 11244 (2016)
22. Hwang, C., Xu, L., Wang, W., Ulrich, S., Zhang, L., Chong, J., Shin, J. H., Huang, X., Kool, E., McKenna, C., Wang, D., “Functional Interplay between NTP Leaving Group and Base Pair Recognition during RNA Polymerase II Nucleotide Incorporation Revealed by Methylene Substitution”, Nucl. Acids Res. 44 (8), 3820-3828 (2016)
23. Zhang, L., Silva, D.-A., Pardo-Avila, F., Wang, D., Huang, X., “Structural Model of RNA Polymerase II Elongation Complex with Complete Transcription Bubble Reveals NTP Entry Routes”, PLoS. Comp. Bio. 11, e1004354 (2015)
24. Zhao, J., Li, Y., Zhang, J., Zhang, L., Lai, J.Y.L., Jiang, K., Mu, C., Li, Z., Chan, C.L.C., Hunt, A., Mukherjee, S., Ade, H., Huang, X., Yan, H. “The Influence of Spacer Units on Molecular Properties and Solar Cell Performance of non-Fullerene Acceptors”, J. Mater. Chem. A 3, 20108-20112 (2015)
25. Xu, L., Wang, W., Zhang, L., Chong, J., Huang, X., Wang, D., “Impact of Template Backbone Heterogeneity on RNA Polymerase II Transcription”, Nucl. Acids Res. 43 (4), 2232-2241 (2015)
26. Liu, Y., Mu, C., Jiang, K., Zhao, J., Li, Y., Zhang, L., Li, Z., Lai, J., Hu, H., Ma, T., Hu, R., Yu, D., Huang, X., Tang, B., Yan, H. “A Tetraphenylethylene Core-based 3D Structure Small Molecular Acceptor Enabling Efficient non-Fullerene Organic Solar Cells”, Adv. Mater. 27 (6), 1015-1020 (2015)
27. Zhang, L., Silva, D.-A., Yue, A., Zhang, H., Yan, Y.J., Huang, X., “Dynamic Protein Conformations Preferentially Drive Energy Transfer along Active Chain of the Photosystem-II Reaction Center”, Nat. Commun. 5, 4170 (2014)
28. Xu, L., Zhang, L., Chong, J., Xu, J., Huang, X., Wang, D., “A Chemical Perspective on Transcriptional Fidelity and Evolution: Asymmetric Recognition of Phosphodiester Linkage by RNA Polymerase II”, Proc. Nat. Acad. Sci. U.S.A. 111, E3269–E3276 (2014)
29. Zhang, L., Silva, D.-A., Yan, Y.J., Huang, X., “Force Field Development for Cofactors in the Photosystem II”, J. Comput. Chem. 33 (25), 1969–1980 (2012)