These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

205 related articles for article (PubMed ID: 36985555)

  • 1. Deciphering Selectivity Mechanism of BRD9 and TAF1(2) toward Inhibitors Based on Multiple Short Molecular Dynamics Simulations and MM-GBSA Calculations.
    Wang L; Wang Y; Yu Y; Liu D; Zhao J; Zhang L
    Molecules; 2023 Mar; 28(6):. PubMed ID: 36985555
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Insight into selective mechanism of class of I-BRD9 inhibitors toward BRD9 based on molecular dynamics simulations.
    Su J; Liu X; Zhang S; Yan F; Zhang Q; Chen J
    Chem Biol Drug Des; 2019 Feb; 93(2):163-176. PubMed ID: 30225973
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular mechanism of inhibitor bindings to bromodomain-containing protein 9 explored based on molecular dynamics simulations and calculations of binding free energies.
    Wang Y; Wang LF; Zhang LL; Sun HB; Zhao J
    SAR QSAR Environ Res; 2020 Feb; 31(2):149-170. PubMed ID: 31851834
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions.
    Chen J; Wang J; Yin B; Pang L; Wang W; Zhu W
    ACS Chem Neurosci; 2019 Oct; 10(10):4303-4318. PubMed ID: 31545898
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Theoretical exploration of the binding selectivity of inhibitors to BRD7 and BRD9 with multiple short molecular dynamics simulations.
    Wang L; Wang Y; Zhao J; Yu Y; Kang N; Yang Z
    RSC Adv; 2022 Jun; 12(26):16663-16676. PubMed ID: 35754900
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Binding Mechanism of Inhibitors to BRD4 and BRD9 Decoded by Multiple Independent Molecular Dynamics Simulations and Deep Learning.
    Wang J; Yang W; Zhao L; Wei B; Chen J
    Molecules; 2024 Apr; 29(8):. PubMed ID: 38675678
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Molecular mechanism study of several inhibitors binding to BRD9 bromodomain based on molecular simulations.
    Song LT; Tu J; Liu RR; Zhu M; Meng YJ; Zhai HL
    J Biomol Struct Dyn; 2019 Jul; 37(11):2970-2979. PubMed ID: 30058436
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Molecular mechanism with regard to the binding selectivity of inhibitors toward FABP5 and FABP7 explored by multiple short molecular dynamics simulations and free energy analyses.
    Chen J; Liu X; Zhang S; Chen J; Sun H; Zhang L; Zhang Q
    Phys Chem Chem Phys; 2020 Jan; 22(4):2262-2275. PubMed ID: 31917380
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Binding mechanism of inhibitors to p38α MAP kinase deciphered by using multiple replica Gaussian accelerated molecular dynamics and calculations of binding free energies.
    Chen J; Wang W; Sun H; Pang L; Bao H
    Comput Biol Med; 2021 Jul; 134():104485. PubMed ID: 33993013
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations.
    Wang Y; Wu S; Wang L; Yang Z; Zhao J; Zhang L
    RSC Adv; 2020 Dec; 11(2):745-759. PubMed ID: 35423696
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Unveiling Allosteric Regulation and Binding Mechanism of BRD9 through Molecular Dynamics Simulations and Markov Modeling.
    Wang B; Wang J; Yang W; Zhao L; Wei B; Chen J
    Molecules; 2024 Jul; 29(15):. PubMed ID: 39124901
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Revealing binding selectivity of inhibitors toward bromodomain-containing proteins 2 and 4 using multiple short molecular dynamics simulations and free energy analyses.
    Wang LF; Wang Y; Yang ZY; Zhao J; Sun HB; Wu SL
    SAR QSAR Environ Res; 2020 May; 31(5):373-398. PubMed ID: 32496901
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Binding selectivity-dependent molecular mechanism of inhibitors towards CDK2 and CDK6 investigated by multiple short molecular dynamics and free energy landscapes.
    Wang L; Lu D; Wang Y; Xu X; Zhong P; Yang Z
    J Enzyme Inhib Med Chem; 2023 Dec; 38(1):84-99. PubMed ID: 36342274
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Revealing binding selectivity of ligands toward murine double minute 2 and murine double minute X based on molecular dynamics simulations and binding free energy calculations.
    Shi S; Sui K; Liu W; Lei Y; Zhang S; Zhang Q
    J Biomol Struct Dyn; 2020 Oct; 38(17):5081-5094. PubMed ID: 31755361
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Develop and test a solvent accessible surface area-based model in conformational entropy calculations.
    Wang J; Hou T
    J Chem Inf Model; 2012 May; 52(5):1199-212. PubMed ID: 22497310
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains.
    Crawford TD; Tsui V; Flynn EM; Wang S; Taylor AM; Côté A; Audia JE; Beresini MH; Burdick DJ; Cummings R; Dakin LA; Duplessis M; Good AC; Hewitt MC; Huang HR; Jayaram H; Kiefer JR; Jiang Y; Murray J; Nasveschuk CG; Pardo E; Poy F; Romero FA; Tang Y; Wang J; Xu Z; Zawadzke LE; Zhu X; Albrecht BK; Magnuson SR; Bellon S; Cochran AG
    J Med Chem; 2016 Jun; 59(11):5391-402. PubMed ID: 27219867
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Insights into the Ligand Binding to Bromodomain-Containing Protein 9 (BRD9): A Guide to the Selection of Potential Binders by Computational Methods.
    De Vita S; Chini MG; Bifulco G; Lauro G
    Molecules; 2021 Nov; 26(23):. PubMed ID: 34885774
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5.
    Yan F; Liu X; Zhang S; Su J; Zhang Q; Chen J
    Int J Mol Sci; 2018 Aug; 19(9):. PubMed ID: 30142969
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Identification of Selective BRD9 Inhibitor via Integrated Computational Approach.
    Ali MM; Ashraf S; Nure-E-Alam M; Qureshi U; Khan KM; Ul-Haq Z
    Int J Mol Sci; 2022 Nov; 23(21):. PubMed ID: 36362300
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Alanine scanning combined with interaction entropy studying the differences of binding mechanism on HIV-1 and HIV-2 proteases with inhibitor.
    Cong Y; Duan L; Huang K; Bao J; Zhang JZH
    J Biomol Struct Dyn; 2021 Mar; 39(5):1588-1599. PubMed ID: 32100625
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.