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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
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
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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)
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