Yuan Y - Search Results

1

Molecular Mechanisms of Diverse Activation Stimulated by Different Biased Agonists for the β2-Adrenergic Receptor.

Chen J, Liu J, Yuan Y, Chen X, Zhang F, Pu X. Chen J, et al. Among authors: yuan y. J Chem Inf Model. 2022 Nov 14;62(21):5175-5192. doi: 10.1021/acs.jcim.1c01016. Epub 2021 Nov 20. J Chem Inf Model. 2022. PMID: 34802238

2

Effects of water content on the tetrahedral intermediate of chymotrypsin - trifluoromethylketone in polar and non-polar media: observations from molecular dynamics simulation.

Tian X, Jiang L, Yuan Y, Wang M, Guo Y, Zeng X, Li M, Pu X. Tian X, et al. Among authors: yuan y. J Mol Model. 2013 Jun;19(6):2525-38. doi: 10.1007/s00894-013-1807-y. Epub 2013 Mar 1. J Mol Model. 2013. PMID: 23455930

3

Effects of organic solvents and substrate binding on trypsin in acetonitrile and hexane media.

Meng Y, Yuan Y, Zhu Y, Guo Y, Li M, Wang Z, Pu X, Jiang L. Meng Y, et al. Among authors: yuan y. J Mol Model. 2013 Sep;19(9):3749-66. doi: 10.1007/s00894-013-1900-2. Epub 2013 Jun 23. J Mol Model. 2013. PMID: 23793739

4

Understanding the effects on constitutive activation and drug binding of a D130N mutation in the β2 adrenergic receptor via molecular dynamics simulation.

Zhu Y, Yuan Y, Xiao X, Zhang L, Guo Y, Pu X. Zhu Y, et al. Among authors: yuan y. J Mol Model. 2014 Nov;20(11):2491. doi: 10.1007/s00894-014-2491-2. Epub 2014 Oct 25. J Mol Model. 2014. PMID: 25342155

5

Deactivation mechanism of a novel AIE-active naphthalimide derivative in more polar solutions.

Chen Y, Wang Y, Yuan Y, Jiao Y, Pu X, Lu Z. Chen Y, et al. Among authors: yuan y. Phys Chem Chem Phys. 2015 Jan 14;17(2):1309-16. doi: 10.1039/c4cp04213a. Epub 2014 Nov 26. Phys Chem Chem Phys. 2015. PMID: 25424740

6

Understanding the conformation transition in the activation pathway of β2 adrenergic receptor via a targeted molecular dynamics simulation.

Xiao X, Zeng X, Yuan Y, Gao N, Guo Y, Pu X, Li M. Xiao X, et al. Among authors: yuan y. Phys Chem Chem Phys. 2015 Jan 28;17(4):2512-22. doi: 10.1039/c4cp04528a. Epub 2014 Dec 10. Phys Chem Chem Phys. 2015. PMID: 25494239

7

Probing immobilization mechanism of alpha-chymotrypsin onto carbon nanotube in organic media by molecular dynamics simulation.

Zhang L, Xiao X, Yuan Y, Guo Y, Li M, Pu X. Zhang L, et al. Among authors: yuan y. Sci Rep. 2015 Mar 19;5:9297. doi: 10.1038/srep09297. Sci Rep. 2015. PMID: 25787884 Free PMC article.

8

Exploring the mechanism of F282L mutation-caused constitutive activity of GPCR by a computational study.

Gao N, Liang T, Yuan Y, Xiao X, Zhao Y, Guo Y, Li M, Pu X. Gao N, et al. Among authors: yuan y. Phys Chem Chem Phys. 2016 Oct 26;18(42):29412-29422. doi: 10.1039/c6cp03710k. Phys Chem Chem Phys. 2016. PMID: 27735961

9

Molecular mechanism of carbon nanotube to activate Subtilisin Carlsberg in polar and non-polar organic media.

Zhang L, Li Y, Yuan Y, Jiang Y, Guo Y, Li M, Pu X. Zhang L, et al. Among authors: yuan y. Sci Rep. 2016 Nov 22;6:36838. doi: 10.1038/srep36838. Sci Rep. 2016. PMID: 27874101 Free PMC article.

10

Use multiscale simulation to explore the effects of the homodimerizations between different conformation states on the activation and allosteric pathway for the μ-opioid receptor.

Zhang X, Yuan Y, Wang L, Guo Y, Li M, Li C, Pu X. Zhang X, et al. Among authors: yuan y. Phys Chem Chem Phys. 2018 May 16;20(19):13485-13496. doi: 10.1039/c8cp02016g. Phys Chem Chem Phys. 2018. PMID: 29726867

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