Zheng Q - Search Results

1

A novel benzotriazole derivate with Twisted intramolecular charge transfer and Aggregation Induced emission features for proton determination.

Li S, Shi N, Zhang M, Chen Z, Xia D, Zheng Q, Feng G, Song Z. Li S, et al. Among authors: zheng q. Spectrochim Acta A Mol Biomol Spectrosc. 2022 Mar 15;269:120780. doi: 10.1016/j.saa.2021.120780. Epub 2021 Dec 18. Spectrochim Acta A Mol Biomol Spectrosc. 2022. PMID: 34968838

2

Rational design and synthesis of yellow-light emitting triazole fluorophores with AIE and mechanochromic properties.

Lai Q , Liu Q , Zhao K , Shan C , Wojtas L , Zheng Q , Shi X , Song Z . Lai Q , et al. Among authors: zheng q. Chem Commun (Camb). 2019 Apr 16;55(32):4603-4606. doi: 10.1039/c9cc00262f. Chem Commun (Camb). 2019. PMID: 30887971 Free PMC article.

3

Molecular Dynamics Investigations of Binding Mechanism for Triazoles Inhibitors to CYP51.

Shi N, Zheng Q, Zhang H. Shi N, et al. Among authors: zheng q. Front Mol Biosci. 2020 Sep 25;7:586540. doi: 10.3389/fmolb.2020.586540. eCollection 2020. Front Mol Biosci. 2020. PMID: 33102531 Free PMC article.

4

Molecular Basis of the Recognition of Cholesterol by Cytochrome P450 46A1 along the Major Access Tunnel.

Shi N, Zheng Q, Zhang H. Shi N, et al. Among authors: zheng q. ACS Chem Neurosci. 2022 May 18;13(10):1526-1533. doi: 10.1021/acschemneuro.1c00866. Epub 2022 Apr 19. ACS Chem Neurosci. 2022. PMID: 35438962

5

A direct approach toward investigating DNA-ligand interactions via surface-enhanced Raman spectroscopy combined with molecular dynamics simulations.

Wang Y, Shi N, He Y, Li Y, Zheng Q. Wang Y, et al. Among authors: zheng q. Phys Chem Chem Phys. 2023 Jan 18;25(3):2153-2160. doi: 10.1039/d2cp04566d. Phys Chem Chem Phys. 2023. PMID: 36562542

6

What are the effects of the serine triad on proton conduction of an influenza B M2 channel? An investigation by molecular dynamics simulations.

Zhang Y , Zheng QC . Zhang Y , et al. Phys Chem Chem Phys. 2019 Apr 24;21(17):8820-8826. doi: 10.1039/c9cp00612e. Phys Chem Chem Phys. 2019. PMID: 30968902

7

A molecular dynamics investigation into the mechanisms of tvMyb2 recognizes and binds ap65-1.

Li W, Zheng Q. Li W, et al. Among authors: zheng q. Minerva Surg. 2024 Feb;79(1):119-121. doi: 10.23736/S2724-5691.21.09336-9. Epub 2021 Dec 3. Minerva Surg. 2024. PMID: 34859657 Free article. No abstract available.

8

Exploring three important drug resistance mutations in ALK with three different inhibitors: insight from molecular simulations.

Li W, He M, Zheng Q. Li W, et al. Among authors: zheng q. Panminerva Med. 2023 Mar;65(1):106-107. doi: 10.23736/S0031-0808.21.04371-8. Epub 2021 Jun 11. Panminerva Med. 2023. PMID: 34114760 Free article. No abstract available.

9

Molecular Insights into the Heterotropic Allosteric Mechanism in Cytochrome P450 3A4-Mediated Midazolam Metabolism.

Fu T, Zhang H, Zheng Q. Fu T, et al. Among authors: zheng q. J Chem Inf Model. 2022 Nov 28;62(22):5762-5770. doi: 10.1021/acs.jcim.2c01264. Epub 2022 Nov 7. J Chem Inf Model. 2022. PMID: 36342224

10

2D-QSAR study, molecular docking, and molecular dynamics simulation studies of interaction mechanism between inhibitors and transforming growth factor-beta receptor I (ALK5).

Jiang MN, Zhou XP, Sun DR, Gao H, Zheng QC, Zhang HX, Liang D. Jiang MN, et al. J Biomol Struct Dyn. 2018 Nov;36(14):3705-3717. doi: 10.1080/07391102.2017.1396256. Epub 2017 Nov 6. J Biomol Struct Dyn. 2018. PMID: 29064324

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