理论与计算化学
张璐,中国科学院福建物质结构研究所研究员,课题组长,博士生导师。2009年毕业于厦门大学,获得学士学位。海外学习于2013年获得博士学位。2013-2017年在海外工作从事博士后研究。2017年入职中国科学院福建物质结构研究所,同年获得国家引进高层次人才青年项目的支持。张璐博士长期从事复杂体系动力学的理论研究,不仅创新性地开发了高精度、高效率的动力学模拟方法,还成功地将先进的人工智能模型与之融合,在生物大分子的原子级长时间尺度动力学信息解析方面取得了一系列进展。作为项目负责人承担了国家自然科学基金青年项目,国家自然科学基金面上项目等。入选福建省引进高层次创新人才,中国科学院高层次人才,获得“福建省青年岗位能手”称号。研究成果发表在Angew. Chem. Int. Ed.,PNAS,Adv. Mater., Nat. Commun.等国际旗舰期刊上。
1. T. Xu, Y. Li, X. Gao, L. Zhang*, “Understanding the Fast-Triggering Unfolding Dynamics of FK-11 upon Photoexcitation of Azobenzene”, Journal of Physical Chemistry Letters, 2024, 15, 3531−3540
2. Y. Cai#, T. Xu#, B. Zhu, J. Chen, L. Jiang, X. Shan, R. Rong, Y. Li, Y. Yu, X. Gao, H. H. Zhu, L. Zhang*, P. Zhang*, and Y. Li*, “Conformation Influences Biological Fates of Peptide-Based Nanofilaments by Modulating Protein Adsorption and Interfilament Entanglement”, Advanced Materials, 2024, 2409130
3. B. Liu, Yan. Qi, X. Wang, X. Gao, Y. Yao, L. Zhang*, “Investigation of the Flipping Dynamics of 1, N6-Ethenoadenine in Alkyladenine DNA Glycosylase”, Journal of Physical Chemistry B, 2024, 128(7), 1606−1617
4. X. Wang, T. Xu, Y. Yao, P. P.-H. Cheung, X. Gao, L. Zhang*, “SARS-CoV-2 RNA-Dependent RNA Polymerase Follows Asynchronous Translocation Pathway for Viral Transcription and Replication”, Journal of Physical Chemistry Letters, 2023, 14, 10119−10128
5. T. Xu, L. Zhang*, “Current Understanding of Nucleoside Analogs Inhibiting the SARS-CoV-2 RNA-dependent RNA Polymerase”, Computational and Structural Biotechnology Journal, 2023, 21, 4385–4394
6. X. Luo, X. Wang, Y. Yao, X. Gao, L. Zhang*, “Unveiling the Template-Dependent Inhibition on the Viral Transcription of SARS-CoV2”, Journal of Physical Chemistry Letters, 2022, 13(31), 7197-7205
7. Y. Li, D. Zhang, X. Gao, X. Wang, L. Zhang*, “2’- and 3’-Ribose Modifications of Nucleotide Analogues Establish the Structural Basis to Inhibit the Viral Replication of SARS-CoV-2”, Journal of Physical Chemistry Letters, 2022, 13 (18), 4111-4118
8. X. Xu, L. Zhang*, J. Chu, Y. Wang, A. Chin, T. H. Chong, Z. Dai, L. Poon, P. Cheung*, X. Huang*, “A novel mechanism of enhanced transcription activity and fidelity for influenza A viral RNA-dependent RNA polymerase”, Nucleic Acids Research, 2021, 49 (15), 8796–8810
9. L. Zhang*, D. Zhang, X. Wang, C. Yuan, Y. Li, X. Jia, X. Gao, H.-L. Yen, P. P.-H. Cheung*, X. Huang*, “1’-Ribose Cyano Substitution Allows Remdesivir to Effectively Inhibit Nucleotide Addition and Proofreading during SARS-CoV-2 Viral RNA Replication.”, Physical Chemistry Chemical Physics, 2021, 23 (10), 5852-5863
10. S. Peng#, X. Wang#, L. Zhang*#, S. Wu, X. Zhao*, X. Huang*, C. Chen*, “Target Search and Recognition Mechanisms of Glycosylase AlkD Revealed by Scanning FRET-FCS and Markov State Models”, Proceedings of the National Academy of Sciences of the United States of America, 2020, 117 (36), 21889–21895
11. L. Zhang*#, S. Wu#, Y. Feng#, D. Wang, X. Jia, Z. Liu, J. Liu, W. Wang*, “Ligand-bound Glutamine Binding Protein Assumes Multiple Metastable Binding Sites with Different Binding Affinities”, Communications Biology, 2020, 3, 419
12. Y. Feng#, L. Zhang#, S. Wu, Z. Liu, X. Gao, X. Zhang, M. Liu, J. Liu, X. Huang*, W. Wang*, “Conformational Dynamics of apo-GlnBP Revealed by Experimental and Computational Analysis”, Angewandte Chemie International Edition, 2016, 55 (45), 13990–13994
13. L. Zhang, F. Pardo-Avila, C. I. Unarta, P.-H. P. Cheung, G. Wang, D. Wang, and X. Huang, “Elucidation of the Dynamics of Transcription Elongation by RNA Polymerase II using Kinetic Network Models”, Accounts of Chemical Research, 2016, 49 (4), 687–694
14. L. Zhang, D.-A. Silva, A. Yue, H. Zhang, Y.J. Yan, X. Huang, “Dynamic Protein Conformations Preferentially Drive Energy Transfer along Active Chain of the Photosystem-II Reaction Center”, Nature Communications, 2014, 5, 4170