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Journal Abstract Search

249 related items for PubMed ID: 28818718

  • 1. Template selection and refinement considerations for modelling aminergic GPCR-ligand complexes.
    Urmi KF, Finch AM, Griffith R.
    J Mol Graph Model; 2017 Sep; 76():488-503. PubMed ID: 28818718
    [Abstract] [Full Text] [Related]

  • 2. Assessing GPCR homology models constructed from templates of various transmembrane sequence identities: Binding mode prediction and docking enrichment.
    Loo JSE, Emtage AL, Ng KW, Yong ASJ, Doughty SW.
    J Mol Graph Model; 2018 Mar; 80():38-47. PubMed ID: 29306746
    [Abstract] [Full Text] [Related]

  • 3. GPCR homology model template selection benchmarking: Global versus local similarity measures.
    Castleman PN, Sears CK, Cole JA, Baker DL, Parrill AL.
    J Mol Graph Model; 2019 Jan; 86():235-246. PubMed ID: 30390544
    [Abstract] [Full Text] [Related]

  • 4. Current assessment of docking into GPCR crystal structures and homology models: successes, challenges, and guidelines.
    Beuming T, Sherman W.
    J Chem Inf Model; 2012 Dec 21; 52(12):3263-77. PubMed ID: 23121495
    [Abstract] [Full Text] [Related]

  • 5. Benchmarking GPCR homology model template selection in combination with de novo loop generation.
    Szwabowski GL, Castleman PN, Sears CK, Wink LH, Cole JA, Baker DL, Parrill AL.
    J Comput Aided Mol Des; 2020 Oct 21; 34(10):1027-1044. PubMed ID: 32737667
    [Abstract] [Full Text] [Related]

  • 6. Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity.
    Jaiteh M, Rodríguez-Espigares I, Selent J, Carlsson J.
    PLoS Comput Biol; 2020 Mar 21; 16(3):e1007680. PubMed ID: 32168319
    [Abstract] [Full Text] [Related]

  • 7. From heptahelical bundle to hits from the Haystack: structure-based virtual screening for GPCR ligands.
    Kooistra AJ, Roumen L, Leurs R, de Esch IJ, de Graaf C.
    Methods Enzymol; 2013 Mar 21; 522():279-336. PubMed ID: 23374191
    [Abstract] [Full Text] [Related]

  • 8. Efficiency of Homology Modeling Assisted Molecular Docking in G-protein Coupled Receptors.
    Bhunia SS, Saxena AK.
    Curr Top Med Chem; 2021 Mar 21; 21(4):269-294. PubMed ID: 32901584
    [Abstract] [Full Text] [Related]

  • 9. 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.
    ACS Chem Neurosci; 2019 Jan 16; 10(1):677-689. PubMed ID: 30265513
    [Abstract] [Full Text] [Related]

  • 10. GPCRs through the keyhole: the role of protein flexibility in ligand binding to β-adrenoceptors.
    Emtage AL, Mistry SN, Fischer PM, Kellam B, Laughton CA.
    J Biomol Struct Dyn; 2017 Sep 16; 35(12):2604-2619. PubMed ID: 27532213
    [Abstract] [Full Text] [Related]

  • 11. Using molecular dynamics for the refinement of atomistic models of GPCRs by homology modeling.
    Lupala CS, Rasaeifar B, Gomez-Gutierrez P, Perez JJ.
    J Biomol Struct Dyn; 2018 Jul 16; 36(9):2436-2448. PubMed ID: 28728517
    [Abstract] [Full Text] [Related]

  • 12. Critical analysis of the successes and failures of homology models of G protein-coupled receptors.
    Bhattacharya S, Lam AR, Li H, Balaraman G, Niesen MJ, Vaidehi N.
    Proteins; 2013 May 16; 81(5):729-39. PubMed ID: 23042299
    [Abstract] [Full Text] [Related]

  • 13. A structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design.
    Kooistra AJ, Kuhne S, de Esch IJ, Leurs R, de Graaf C.
    Br J Pharmacol; 2013 Sep 16; 170(1):101-26. PubMed ID: 23713847
    [Abstract] [Full Text] [Related]

  • 14. GPCR Homology Model Generation for Lead Optimization.
    Tautermann CS.
    Methods Mol Biol; 2018 Sep 16; 1705():115-131. PubMed ID: 29188560
    [Abstract] [Full Text] [Related]

  • 15. Modern homology modeling of G-protein coupled receptors: which structural template to use?
    Mobarec JC, Sanchez R, Filizola M.
    J Med Chem; 2009 Aug 27; 52(16):5207-16. PubMed ID: 19627087
    [Abstract] [Full Text] [Related]

  • 16. Homology modeling of G-protein-coupled receptors with X-ray structures on the rise.
    Yarnitzky T, Levit A, Niv MY.
    Curr Opin Drug Discov Devel; 2010 May 27; 13(3):317-25. PubMed ID: 20443165
    [Abstract] [Full Text] [Related]

  • 17. A benchmarking study on virtual ligand screening against homology models of human GPCRs.
    Lim VJY, Du W, Chen YZ, Fan H.
    Proteins; 2018 Sep 27; 86(9):978-989. PubMed ID: 30051928
    [Abstract] [Full Text] [Related]

  • 18. Comparative sequence and structural analyses of G-protein-coupled receptor crystal structures and implications for molecular models.
    Worth CL, Kleinau G, Krause G.
    PLoS One; 2009 Sep 16; 4(9):e7011. PubMed ID: 19756152
    [Abstract] [Full Text] [Related]

  • 19. Molecular modelling of human 5-hydroxytryptamine receptor (5-HT2A) and virtual screening studies towards the identification of agonist and antagonist molecules.
    Gandhimathi A, Sowdhamini R.
    J Biomol Struct Dyn; 2016 May 16; 34(5):952-70. PubMed ID: 26327576
    [Abstract] [Full Text] [Related]

  • 20. X-ray structure breakthroughs in the GPCR transmembrane region.
    Topiol S, Sabio M.
    Biochem Pharmacol; 2009 Jul 01; 78(1):11-20. PubMed ID: 19447219
    [Abstract] [Full Text] [Related]

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