学术著作

Yuan, S.^*, Hu, Z., Filipek, S. & Vogel, H. W2466. 48 opens a gate for a continuous intrinsic water pathway during activation of the adenosine A2A receptor. Angewandte Chemie International Edition 54, 556–559 (2015).

Kong, X.-D., Yuan, S., Li, L., Chen, S., Xu, J.-H. & Zhou, J. Engineering of an epoxide hydrolase for efficient bioresolution of bulky pharmaco substrates. Proceedings of the National Academy of Sciences 111, 15717–15722 (2014).

Kufareva, I., Katritch, V., Contest, P. O. G. P. C. R., Stevens, R. C. & Abagyan, R. Advances in GPCR modeling evaluated by the GPCR Dock 2013 assessment: meeting new challenges. Structure 22, 1120–1139 (2014).

Yuan, S.^*, Filipek, S., Palczewski, K. & Vogel, H. Activation of G-protein-coupled receptors correlates with the formation of a continuous internal water pathway. Nature Communication 5, 4733 (2014).

Latek, D., Trzaskowski, B., Niewieczerzał, S., Miszta, P., Młynarczyk, K., Debinski, A., Puławski, W., Yuan, S. & Filipek, S. Modeling of Membrane Proteins. Computational Methods to Study the Structure and Dynamics of Biomolecules and Biomolecular Processes: From Bioinformatics to Molecular Quantum Mechanics, 357–431 (2013).

Yuan, S., Vogel, H. & Filipek, S. Rolle des Wassers und der Natriumionen bei der Aktivierung des μ-Opioidrezeptors. Angewandte Chemie 125, 10299–10302 (2013).

Yuan, S.^*, Wu, R., Latek, D., Trzaskowski, B. & Filipek, S. Lipid receptor S1P1 activation scheme concluded from microsecond all-atom molecular dynamics simulations. PLoS computational biology 9, e1003261 (2013).

Yuan, S.^*, Vogel, H. & Filipek, S. The role of water and sodium ions in the activation of the μ-opioid receptor. Angew Chem Int Ed Engl 52, 10112–5 (2013).

Wu, Y., Yuan, S., Chen, S., Wu, D., Chen, J. & Wu, J. Enhancing the production of galacto-oligosaccharides by mutagenesis of Sulfolobus solfataricus β-galactosidase. Food chemistry 138, 1588–1595 (2013).

Le Roy, K., Vergauwen, R., Struyf, T., Yuan, S., Lammens, W., Mátrai, J., De Maeyer, M. & Van den Ende, W. Understanding the role of defective invertases in plants: tobacco Nin88 fails to degrade sucrose. Plant Physiology 161, 1670–1681 (2013).

Yuan, S., Le Roy, K., Venken, T., Lammens, W., Van den Ende, W. & De Maeyer, M. pKa modulation of the acid/base catalyst within GH32 and GH68: a role in substrate/inhibitor specificity? PLoS One 7, e37453 (2012).

Yuan, S., Ghoshdastider, U., Trzaskowski, B., Latek, D., Debinski, A., Pulawski, W., Wu, R., Gerke, V. & Filipek, S. The role of water in activation mechanism of human N-formyl peptide receptor 1 (FPR1) based on molecular dynamics simulations. PloS one 7, e47114 (2012).

Lammens, W., Le Roy, K., Yuan, S., Vergauwen, R., Rabijns, A., Van Laere, A., Strelkov, S. V. & Van den Ende, W. Crystal structure of 6‐SST/6‐SFT from Pachysandra terminalis, a plant fructan biosynthesizing enzyme in complex with its acceptor substrate 6‐kestose. The Plant Journal 70, 205–219 (2012).

Trzaskowski, B., Latek, D., Yuan, S., Ghoshdastider, U., Debinski, A. & Filipek, S. Action of molecular switches in GPCRs-theoretical and experimental studies. Current medicinal chemistry 19, 1090–1109 (2012).

Zheng, C., Liu, H.-H., Yuan, S., Zhou, J. & Zhang, B. Molecular basis of LMAN1 in coordinating LMAN1-MCFD2 cargo receptor formation and ER-to-Golgi transport of FV/FVIII. Blood, The Journal of the American Society of Hematology 116, 5698–5706 (2010).

Qu, Q., Cui, W., Xing, X., Zou, R., Huang, X., Wang, X., Wu, T., Bello-Onaghise, G., Yuan, S. & Li, Y. Rutin, A Natural Inhibitor of IGPD Protein, Partially Inhibits Biofilm.

Yuan, S. From computational pharmacy to modern drug discovery.

Tang, J., Chen, L., Zhang, L., Ni, G., Yu, J., Wang, H., Zhang, F., Yuan, S., Feng, M. & Chen, S. Structure-guided evolution of a ketoreductase for efficient and stereoselective bioreduction of bulky α-amino β-keto esters. Catalysis Science & Technology.