| Structure and dynamics of PD-L1 and an ultra-high-affinity PD-1 receptor mutant R Pascolutti, X Sun, J Kao, RL Maute, AM Ring, GR Bowman, AC Kruse Structure 24 (10), 1719-1728, 2016 | 98 | 2016 |
| Accuracy assessment of protein-based docking programs against RNA targets Y Li, J Shen, X Sun, W Li, G Liu, Y Tang Journal of chemical information and modeling 50 (6), 1134-1146, 2010 | 71 | 2010 |
| Choice of adaptive sampling strategy impacts state discovery, transition probabilities, and the apparent mechanism of conformational changes MI Zimmerman, JR Porter, X Sun, RR Silva, GR Bowman Journal of chemical theory and computation 14 (11), 5459-5475, 2018 | 70 | 2018 |
| Simulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding X Sun, S Singh, KJ Blumer, GR Bowman Elife 7, e38465, 2018 | 49 | 2018 |
| Molecular insights into ago-allosteric modulation of the human glucagon-like peptide-1 receptor Z Cong, LN Chen, H Ma, Q Zhou, X Zou, C Ye, A Dai, Q Liu, W Huang, ... Nature communications 12 (1), 3763, 2021 | 47 | 2021 |
| Non-antibiotic agent ginsenoside 20 (S)-Rh2 enhanced the antibacterial effects of ciprofloxacin in vitro and in vivo as a potential NorA inhibitor J Zhang, Y Sun, Y Wang, M Lu, J He, J Liu, Q Chen, X Zhang, F Zhou, ... European journal of pharmacology 740, 277-284, 2014 | 40 | 2014 |
| Functional water molecules in rhodopsin activation X Sun, H Ågren, Y Tu The journal of physical chemistry B 118 (37), 10863-10873, 2014 | 37 | 2014 |
| Structural insights into the activation of GLP-1R by a small molecule agonist H Ma, W Huang, X Wang, L Zhao, Y Jiang, F Liu, W Guo, X Sun, W Zhong, ... Cell Research 30 (12), 1140-1142, 2020 | 33 | 2020 |
| Synthesis and biological evaluation of quinazoline and quinoline bearing 2, 2, 6, 6-tetramethylpiperidine-N-oxyl as potential epidermal growth factor receptor (EGFR) tyrosine … S Li, C Guo, X Sun, Y Li, H Zhao, D Zhan, M Lan, Y Tang European journal of medicinal chemistry 49, 271-278, 2012 | 32 | 2012 |
| Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening S Li, X Sun, H Zhao, Y Tang, M Lan Bioorganic & medicinal chemistry letters 22 (12), 4004-4009, 2012 | 31 | 2012 |
| Doxorubicin-loaded hydrogen peroxide self-providing copper nanodots for combination of chemotherapy and acid-induced chemodynamic therapy against breast cancer J Li, L Zhang, C Liu, Q Wu, S Li, X Lei, Y Huang, G Feng, X Yu, X Sun, ... Journal of Colloid and Interface Science 593, 323-334, 2021 | 29 | 2021 |
| Identification of old drugs as potential inhibitors of HIV-1 integrase–human LEDGF/p75 interaction via molecular docking G Hu, X Li, X Sun, W Lu, G Liu, J Huang, X Shen, Y Tang Journal of molecular modeling 18, 4995-5003, 2012 | 25 | 2012 |
| Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m6A) Recognition by the Reader Domain of YTHDC1 Y Li, RK Bedi, L Wiedmer, X Sun, D Huang, A Caflisch Journal of Chemical Theory and Computation 17 (2), 1240-1249, 2021 | 22 | 2021 |
| Propagation of the Allosteric Modulation Induced by Sodium in the δ‐Opioid Receptor X Sun, G Laroche, X Wang, H Ågren, GR Bowman, PM Giguère, Y Tu Chemistry–A European Journal 23 (19), 4615-4624, 2017 | 22 | 2017 |
| Allosteric inhibitor remotely modulates the conformation of the orthestric pockets in mutant IDH2/R140Q J Chen, J Yang, X Sun, Z Wang, X Cheng, W Lu, X Cai, C Hu, X Shen, ... Scientific Reports 7 (1), 16458, 2017 | 21 | 2017 |
| Structure-based ensemble-QSAR model: a novel approach to the study of the EGFR tyrosine kinase and its inhibitors X Sun, L Chen, Y Li, W Li, G Liu, Y Tu, Y Tang Acta Pharmacologica Sinica 35 (2), 301-310, 2014 | 21 | 2014 |
| Molecular switches of the κ opioid receptor triggered by 6′-GNTI and 5′-GNTI J Cheng, X Sun, W Li, G Liu, Y Tu, Y Tang Scientific Reports 6 (1), 18913, 2016 | 20 | 2016 |
| Computational investigation of interactions between human H2 receptor and its agonists X Sun, Y Li, W Li, Z Xu, Y Tang Journal of Molecular Graphics and Modelling 29 (5), 693-701, 2011 | 20 | 2011 |
| Residues remote from the binding pocket control the antagonist selectivity towards the corticotropin-releasing factor receptor-1 X Sun, J Cheng, X Wang, Y Tang, H Ågren, Y Tu Scientific reports 5 (1), 8066, 2015 | 19 | 2015 |
| Synthesis, structure–activity relationship and biological evaluation of novel arylpiperzines as α1A/1D-AR subselective antagonists for BPH F Xu, H Chen, J Xu, X Liang, X He, B Shao, X Sun, B Li, X Deng, M Yuan Bioorganic & Medicinal Chemistry 23 (24), 7735-7742, 2015 | 17 | 2015 |
Yaozong LiSenior Scientist, University of Zurich - UZH; Umeå UniversityVerified email at bioc.uzh.ch
