Xianqiang Sun
Xianqiang Sun
Founder
Verified email at autodrug.ai
Title
Cited by
Cited by
Year
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
572016
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
532010
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
432018
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
352014
Functional water molecules in rhodopsin activation
X Sun, H ┼gren, Y Tu
The journal of physical chemistry B 118 (37), 10863-10873, 2014
312014
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
302018
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
292012
Synthesis and biological evaluation of quinazoline and quinoline bearing 2, 2, 6, 6-tetramethylpiperidine-N-oxyl as potential epidermal growth factor receptor (EGFR) tyrosineá…
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
292012
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 (12), 4995-5003, 2012
252012
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
192011
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), 1-10, 2016
172016
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 ┼gren, Y Tu
Scientific reports 5 (1), 1-9, 2015
172015
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
172014
Propagation of the allosteric modulation induced by sodium in the δ-opioid receptor
X Sun, G Laroche, X Wang, H ┼gren, GR Bowman, PM GiguŔre, Y Tu
Chemistry 23 (19), 4615-4624, 2017
152017
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), 1-10, 2017
102017
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
102015
In silico investigation of interactions between human cannabinoid receptor-1 and its antagonists
G Kuang, G Hu, X Sun, W Li, G Liu, Y Tang
Journal of molecular modeling 18 (8), 3831-3845, 2012
102012
Microsecond Molecular Dynamics Simulations Provide Insight into the Allosteric Mechanism of the Gs Protein Uncoupling from the β2 Adrenergic Receptor
X Sun, H ┼gren, Y Tu
The Journal of Physical Chemistry B 118 (51), 14737-14744, 2014
92014
Insights into the binding modes of human β 3-adrenergic receptor agonists with ligand-based and receptor-based methods
F Jin, C Lu, X Sun, W Li, G Liu, Y Tang
Molecular diversity 15 (4), 817-831, 2011
92011
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
72020
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