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    YAO Lishan
    Group Leader
    Academic title:
    yaols (AT) qibebt.ac.cn
    Personal Website:
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    Mailing Address:
    No 189 Songling Road, Qingdao


    Dr. YAO Lishan is a Professor of Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences (CAS), where he leads the Group of Modeling and Simulation. He received his PhD in Physical Chemistry from Michigan State University, USA (2006) with the research focused on protein dynamics and enzyme catalysis. After that he moved to the National Institutes of Health of USA and conducted his postdoc research in protein solution NMR. He was awarded the CAS Hundred-Talent fellowship in 2010. Dr YAO has published over 30 peer-reviewed papers in leading journals including Journal of the American Chemical Society, Journal of Physical Chemistry and etc.

    Protein rational design and enzyme catalysis
    Community service:


    1. Stepan Sklenak, Lishan Yao, Robert I. Cukier and Honggao Yan, Catalytic Mechanism of Yeast Cytosine Deaminase: An ONIOM Computational Study. J. Am. Chem. Soc. 126, 14879-14889, 2004

    2. Lishan Yao, Stepan Sklenak, Honggao Yan, and Robert I. Cukier, A Molecular Dynamics Exploration of Catalytic Mechanism of Yeast Cytosine Deaminase. J. Phys. Chem. B 109, 7500-7510, 2005

    3. Lishan Yao, Yue Li, Yan Wu, Aizhuo Liu and Honggao Yan, Product Release Is Rate-Limiting in the Activation of the Prodrug 5-Fluorocytosine by Yeast Cytosine Deaminase. Biochemistry 44, 5940-5947, 2005

    4. Lishan Yao, Honggao Yan, and Robert I. Cukier, Mechanism of Dihydroneopterin Aldolase: A Molecular Dynamics Study of Apo Enzyme and Its Product Complex. J. Phys. Chem. B 110, 1443-1456, 2006

    5. Lishan Yao, Honggao Yan, and Robert I. Cukier, A Combined ONIOM Quantum Chemical-Molecular Dynamics Study of Zinc-Uracil Bond Breaking in Yeast Cytosine Deaminase. J. Phys. Chem. B. 110, 26320-26326, 2006

    6. Aizhuo Liu, Yue Li, Lishan Yao and Honggao Yan Simultaneous NMR assignment of backbone and side chain amides in large proteins with IS-TROSY. J. Biomolecular NMR. 36, 205-214, 2006

    7. Lishan Yao, Honggao Yan, and Robert I. Cukier, A Product Release Path of Yeast Cytosine Deaminase. Biophys. J. 92, 2301-2310, 2007

    8. Lishan Yao, Honggao Yan, and Robert I. Cukier, Catalytic Mechanism of Guanine Deaminase. J. Phys. Chem. B. 111, 4200-4210, 2007

    9. Aizhuo Liu, Lishan Yao, Yue Li and Honggao Yan, Trosy of side-chain amides of large proteins. J. Magn. Reson. 186 319-326, 2007

    10. Lishan Yao and Ad Bax, Modulating Protein Alignment in a Liquid-Crystalline Medium through Conservative Mutagenesis J. Am. Chem. Soc. 129, 11326-11327, 2007

    11. Lishan Yao, Beat Voegeli, Dennis A. Torchia, and Ad Bax, Simultaneous NMR Study of Protein Structure and Dynamics Using Conservative Mutagenesis J. Phys. Chem. B. 112, 6045–6056, 2008

    12. Aizhuo Liu, Zhenwei Lu, Jifeng Wang, Lishan Yao, Yue Li, and Honggao Yan, NMR Detection of Bifurcated Hydrogen Bonds in Large Proteins J. Am. Chem. Soc. 130, 2428-2429, 2008

    13. Aizhuo Liu, Jifeng Wang, Zhenwei Lu, Lishan Yao, Yue Li, and Honggao Yan, Hydrogen-Bond Detection, Configuration Assignment and Rotamer Correction of Side-Chain Amides in Large Proteins by NMR Spectroscopy through Protium/Deuterium Isotope Effects CHEMBIOCHEM. 9, 17 2860-2871, 2008

    14. Beat Vogeli, Lishan Yao, and Ad Bax, Protein Backbone Motions Viewed by Intraresidue and Sequential HN-H? Residue Dipolar Couplings J. Biomolecular NMR, 41, 17-28, 2008.

    15. Justin Lorieau, Lishan Yao and Ad Bax, Liquid Crystalline Phase of G-tetrad DNA for NMR Study of Detergent-Solubilized Proteins J. Am. Chem. Soc., 130, 7536-7537 2008.

    16. Lishan Yao, Jinfa Ying, Beat Vogeli and Ad Bax, NMR Determination of Amide N?H Equilibrium Bond Length from Concerted Dipolar Coupling Measurements J. Am. Chem. Soc., 130, 16518–16520 2008.

    17. Beat Vogeli and Lishan Yao, Correlated Dynamics between Protein HN and HC Bonds Observed by NMR Cross Relaxation J. Am. Chem. Soc., 131, 3668-3678 2009.

    18. Lishan Yao, Jinfa Ying and Ad Bax, Improved accuracy of 15N-1H scalar and residual dipolar couplings from gradient-enhanced IPAP-HSQC experiments on protonated proteins J. Biomolecular NMR, 43, 161-170, 2009

    19. Alexander Grishaev, Lishan Yao, Jinfa Ying, Arthur Pardi and Ad Bax, Chemical shift anisotropy of imino 15N nuclei in Watson-Crick base pairs from magic angle spinning liquid crystal NMR and nuclear spin relaxation J. Am. Chem. Soc. 131, 9490-9491 2009

    20. Lishan Yao, Alexander Grishaev, Gabriel Cornilescu, and Ad Bax, Site-specific backbone amide 15N chemical shift anisotropy tensors from liquid crystal and cross-correlated relaxation measurements J. Am. Chem. Soc. 132, 4295-4309 (2010).

    21. Lishan Yao, Alexander Grishaev, Gabriel Cornilescu, and Ad Bax, The impact of hydrogen bonding on amide 1H chemical shift anisotropy studied by cross-correlated relaxation and liquid crystal NMR spectroscopy. J. Am. Chem. Soc. 132, 10866-10875 (2010).

    22. Tong Li, Qingqing Jing and Lishan Yao*, Dynamics of the GB3 Loop Regions from MD Simulation: How Much of It Is Real? J. Phys. Chem. B. 115, 3488-3495 2011

    23. Shihai Yan, Tong Li and Lishan Yao*, Mutational Effects on the Catalytic Mechanism of Cellobiohydrolase I from Trichoderma reesei J. Phys. Chem. B 115 (17), 4982–4989 2011.

    24. Tong Li & Shihai Yan & Lishan Yao*, The impact of Trichoderma reesei Cel7A carbohydrate binding domain mutations on its binding to a cellulose surface: a molecular dynamics free energy study J. Mol. Mod. 18,1355-1364, 2012

    25. Jingbo Hong, Qingqing Jing and Lishan Yao*, The protein amide 1HN chemical shift temperature coefficient reflects thermal expansion of the N-H...O=C hydrogen bond Journal of Biomolecular NMR 55:71–78, 2013

    26. Yu Zhang, Shihai Yan and Lishan Yao*, Mechanism of the Humicola insolens Cel7B E197S mutant catalyzed flavonoid glycosides synthesis: a QM/MM metadynamics simulation study Theor Chem Acc 132:1367-1376, 2013

    27. Xiangfei Song, Yefei Wang, Zhiyu Shu, Jingbo Hong, Tong Li, and Lishan Yao* Engineering a more thermostable blue light photo receptor Bacillus Subtilis YtvA LOV domain by a computer aided rational design method Plos Comp. Biol. 9(7): e1003129 2013

    28. Yu Zhang, Shihai Yan, and Lishan Yao*, A Mechanistic Study of Trichoderma reesei Cel7B Catalyzed Glycosidic Bond Cleavage J. Phys. Chem. B, 117 (29), 8714–8722, 2013

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