Xu L - Search Results

1

A multi-conformational virtual screening approach based on machine learning targeting PI3Kγ.

Zhu J, Jiang Y, Jia L, Xu L, Cai Y, Chen Y, Zhu N, Li H, Jin J. Zhu J, et al. Among authors: xu l. Mol Divers. 2021 Aug;25(3):1271-1282. doi: 10.1007/s11030-021-10243-1. Epub 2021 Jun 23. Mol Divers. 2021. PMID: 34160714

2

Unraveling the conformational determinants of LARP7 and 7SK small nuclear RNA by theoretical approaches.

Xu L, Kong R, Zhu J, Sun H, Chang S. Xu L, et al. Mol Biosyst. 2016 Jul 19;12(8):2613-21. doi: 10.1039/c6mb00252h. Mol Biosyst. 2016. PMID: 27301448

3

Theoretical studies on the selective mechanisms of GSK3β and CDK2 by molecular dynamics simulations and free energy calculations.

Zhao S, Zhu J, Xu L, Jin J. Zhao S, et al. Among authors: xu l. Chem Biol Drug Des. 2017 Jun;89(6):846-855. doi: 10.1111/cbdd.12907. Epub 2016 Dec 7. Chem Biol Drug Des. 2017. PMID: 27863047

4

Benzo[c][1,2,5]thiadiazole derivatives: A new class of potent Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2) inhibitors.

Wang WL, Chen XY, Gao Y, Gao LX, Sheng L, Zhu J, Xu L, Ding ZZ, Zhang C, Li JY, Li J, Zhou YB. Wang WL, et al. Among authors: xu l. Bioorg Med Chem Lett. 2017 Dec 1;27(23):5154-5157. doi: 10.1016/j.bmcl.2017.10.059. Epub 2017 Oct 26. Bioorg Med Chem Lett. 2017. PMID: 29100798

5

Benchmark Study Based on 2P2I_DB to Gain Insights into the Discovery of Small-Molecule PPI Inhibitors.

Wang Z, Kang Y, Li D, Sun H, Dong X, Yao X, Xu L, Chang S, Li Y, Hou T. Wang Z, et al. Among authors: xu l. J Phys Chem B. 2018 Mar 8;122(9):2544-2555. doi: 10.1021/acs.jpcb.7b12658. Epub 2018 Feb 22. J Phys Chem B. 2018. PMID: 29420886

6

Reliability of Docking-Based Virtual Screening for GPCR Ligands with Homology Modeled Structures: A Case Study of the Angiotensin II Type I Receptor.

Chen H, Fu W, Wang Z, Wang X, Lei T, Zhu F, Li D, Chang S, Xu L, Hou T. Chen H, et al. Among authors: xu l. ACS Chem Neurosci. 2019 Jan 16;10(1):677-689. doi: 10.1021/acschemneuro.8b00489. Epub 2018 Oct 17. ACS Chem Neurosci. 2019. PMID: 30265513

7

Insight into the selective mechanism of phosphoinositide 3-kinase γ with benzothiazole and thiazolopiperidine γ-specific inhibitors by in silico approaches.

Zhu J, Li K, Xu L, Jin J. Zhu J, et al. Among authors: xu l. Chem Biol Drug Des. 2019 May;93(5):818-831. doi: 10.1111/cbdd.13469. Epub 2019 Jan 11. Chem Biol Drug Des. 2019. PMID: 30582283

8

Discovery of Novel Androgen Receptor Ligands by Structure-based Virtual Screening and Bioassays.

Zhou W, Duan M, Fu W, Pang J, Tang Q, Sun H, Xu L, Chang S, Li D, Hou T. Zhou W, et al. Among authors: xu l. Genomics Proteomics Bioinformatics. 2018 Dec;16(6):416-427. doi: 10.1016/j.gpb.2018.03.007. Epub 2019 Jan 9. Genomics Proteomics Bioinformatics. 2018. PMID: 30639122 Free PMC article.

9

Rational Design of Novel Phosphoinositide 3-Kinase Gamma (PI3Kγ) Selective Inhibitors: A Computational Investigation Integrating 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation.

Li K, Zhu J, Xu L, Jin J. Li K, et al. Among authors: xu l. Chem Biodivers. 2019 Jul;16(7):e1900105. doi: 10.1002/cbdv.201900105. Epub 2019 Jun 21. Chem Biodivers. 2019. PMID: 31111650

10

Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3DQSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations.

Zhu J, Wu Y, Xu L, Jin J. Zhu J, et al. Among authors: xu l. Curr Comput Aided Drug Des. 2020;16(1):17-30. doi: 10.2174/1573409915666190708102459. Curr Comput Aided Drug Des. 2020. PMID: 31284868 Free PMC article.

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