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 *

307 related articles for article (PubMed ID: 25229694)

  • 1. Search for β2 adrenergic receptor ligands by virtual screening via grid computing and investigation of binding modes by docking and molecular dynamics simulations.
    Bai Q; Shao Y; Pan D; Zhang Y; Liu H; Yao X
    PLoS One; 2014; 9(9):e107837. PubMed ID: 25229694
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Computational study on the different ligands induced conformation change of β2 adrenergic receptor-Gs protein complex.
    Bai Q; Zhang Y; Ban Y; Liu H; Yao X
    PLoS One; 2013; 8(7):e68138. PubMed ID: 23922653
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Integrating sampling techniques and inverse virtual screening: toward the discovery of artificial peptide-based receptors for ligands.
    Pérez GM; Salomón LA; Montero-Cabrera LA; de la Vega JM; Mascini M
    Mol Divers; 2016 May; 20(2):421-38. PubMed ID: 26553204
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Ligand-binding affinity of alternative conformers of human β
    Dilcan G; Doruker P; Akten ED
    Chem Biol Drug Des; 2019 May; 93(5):883-899. PubMed ID: 30637937
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Conformation guides molecular efficacy in docking screens of activated β-2 adrenergic G protein coupled receptor.
    Weiss DR; Ahn S; Sassano MF; Kleist A; Zhu X; Strachan R; Roth BL; Lefkowitz RJ; Shoichet BK
    ACS Chem Biol; 2013 May; 8(5):1018-26. PubMed ID: 23485065
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study.
    Kooistra AJ; Leurs R; de Esch IJ; de Graaf C
    J Chem Inf Model; 2015 May; 55(5):1045-61. PubMed ID: 25848966
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computational Modeling and Characterization of Peptides Derived from Nanobody Complementary-Determining Region 2 (CDR2) Targeting Active-State Conformation of the β
    Sencanski M; Glisic S; Kubale V; Cotman M; Mavri J; Vrecl M
    Biomolecules; 2024 Mar; 14(4):. PubMed ID: 38672440
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Studies on the interactions between β2 adrenergic receptor and Gs protein by molecular dynamics simulations.
    Feng Z; Hou T; Li Y
    J Chem Inf Model; 2012 Apr; 52(4):1005-14. PubMed ID: 22404225
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Virtual screening of small molecules databases for discovery of novel PARP-1 inhibitors: combination of in silico and in vitro studies.
    Ekhteiari Salmas R; Unlu A; Bektaş M; Yurtsever M; Mestanoglu M; Durdagi S
    J Biomol Struct Dyn; 2017 Jul; 35(9):1899-1915. PubMed ID: 27315035
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Bitopic Ligands Support the Presence of a Metastable Binding Site at the β
    Gaiser BI; Danielsen M; Xu X; Røpke Jørgensen K; Fronik P; Märcher-Rørsted E; Wróbel TM; Liu X; Mosolff Mathiesen J; Sejer Pedersen D
    J Med Chem; 2024 Jul; 67(13):11053-11068. PubMed ID: 38952152
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Discovery of high affinity ligands for β2-adrenergic receptor through pharmacophore-based high-throughput virtual screening and docking.
    Yakar R; Akten ED
    J Mol Graph Model; 2014 Sep; 53():148-160. PubMed ID: 25137647
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Computational insights into inhibiting EphA2: Integrating structure-based virtual screening, docking, and molecular dynamics simulations for small molecule discovery.
    Mohd Nehal ; Jahanarah Khatoon ; Salman Akhtar ; Ahmad Khan MK
    Cell Mol Biol (Noisy-le-grand); 2024 Sep; 70(8):16-31. PubMed ID: 39262267
    [TBL] [Abstract][Full Text] [Related]  

  • 13. DockThor-VS: A Free Platform for Receptor-Ligand Virtual Screening.
    Guedes IA; Pereira da Silva MM; Galheigo M; Krempser E; de Magalhães CS; Correa Barbosa HJ; Dardenne LE
    J Mol Biol; 2024 Sep; 436(17):168548. PubMed ID: 39237203
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Structure-Based Virtual Screening of Tumor Necrosis Factor-α Inhibitors by Cheminformatics Approaches and Bio-Molecular Simulation.
    Halim SA; Sikandari AG; Khan A; Wadood A; Fatmi MQ; Csuk R; Al-Harrasi A
    Biomolecules; 2021 Feb; 11(2):. PubMed ID: 33671607
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.
    Liu YY; Feng XY; Jia WQ; Jing Z; Xu WR; Cheng XC
    Comput Biol Chem; 2019 Feb; 78():190-204. PubMed ID: 30557817
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Function-specific virtual screening for GPCR ligands using a combined scoring method.
    Kooistra AJ; Vischer HF; McNaught-Flores D; Leurs R; de Esch IJ; de Graaf C
    Sci Rep; 2016 Jun; 6():28288. PubMed ID: 27339552
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ligand induced change of β2 adrenergic receptor from active to inactive conformation and its implication for the closed/open state of the water channel: insight from molecular dynamics simulation, free energy calculation and Markov state model analysis.
    Bai Q; Pérez-Sánchez H; Zhang Y; Shao Y; Shi D; Liu H; Yao X
    Phys Chem Chem Phys; 2014 Aug; 16(30):15874-85. PubMed ID: 24962153
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A systematic methodology for large scale compound screening: A case study on the discovery of novel S1PL inhibitors.
    Deniz U; Ozkirimli E; Ulgen KO
    J Mol Graph Model; 2016 Jan; 63():110-24. PubMed ID: 26724452
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Mapping functional group free energy patterns at protein occluded sites: nuclear receptors and G-protein coupled receptors.
    Lakkaraju SK; Yu W; Raman EP; Hershfeld AV; Fang L; Deshpande DA; MacKerell AD
    J Chem Inf Model; 2015 Mar; 55(3):700-8. PubMed ID: 25692383
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Protein flexibility in virtual screening: the BACE-1 case study.
    Cosconati S; Marinelli L; Di Leva FS; La Pietra V; De Simone A; Mancini F; Andrisano V; Novellino E; Goodsell DS; Olson AJ
    J Chem Inf Model; 2012 Oct; 52(10):2697-704. PubMed ID: 23005250
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.