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404 related items for PubMed ID: 29188560

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

  • 2. 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; 34(10):1027-1044. PubMed ID: 32737667
    [Abstract] [Full Text] [Related]

  • 3. Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery.
    Heifetz A, Southey M, Morao I, Townsend-Nicholson A, Bodkin MJ.
    Methods Mol Biol; 2018 Oct; 1705():375-394. PubMed ID: 29188574
    [Abstract] [Full Text] [Related]

  • 4. 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]

  • 5. Synergistic Use of GPCR Modeling and SDM Experiments to Understand Ligand Binding.
    Potterton A, Heifetz A, Townsend-Nicholson A.
    Methods Mol Biol; 2018 Mar; 1705():335-343. PubMed ID: 29188570
    [Abstract] [Full Text] [Related]

  • 6. Structure versus function-The impact of computational methods on the discovery of specific GPCR-ligands.
    Bermudez M, Wolber G.
    Bioorg Med Chem; 2015 Jul 15; 23(14):3907-12. PubMed ID: 25828056
    [Abstract] [Full Text] [Related]

  • 7. Improving virtual screening of G protein-coupled receptors via ligand-directed modeling.
    Coudrat T, Simms J, Christopoulos A, Wootten D, Sexton PM.
    PLoS Comput Biol; 2017 Nov 15; 13(11):e1005819. PubMed ID: 29131821
    [Abstract] [Full Text] [Related]

  • 8. Modeling and Deorphanization of Orphan GPCRs.
    Diaz C, Angelloz-Nicoud P, Pihan E.
    Methods Mol Biol; 2018 Nov 15; 1705():413-429. PubMed ID: 29188576
    [Abstract] [Full Text] [Related]

  • 9. 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 15; 86():235-246. PubMed ID: 30390544
    [Abstract] [Full Text] [Related]

  • 10. 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]

  • 11. Efficiency of Homology Modeling Assisted Molecular Docking in G-protein Coupled Receptors.
    Bhunia SS, Saxena AK.
    Curr Top Med Chem; 2021 Jan 16; 21(4):269-294. PubMed ID: 32901584
    [Abstract] [Full Text] [Related]

  • 12. Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models.
    Cavasotto CN, Palomba D.
    Chem Commun (Camb); 2015 Sep 14; 51(71):13576-94. PubMed ID: 26256645
    [Abstract] [Full Text] [Related]

  • 13. Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.
    Cross JB.
    Methods Mol Biol; 2018 Sep 14; 1705():233-264. PubMed ID: 29188566
    [Abstract] [Full Text] [Related]

  • 14. Template selection and refinement considerations for modelling aminergic GPCR-ligand complexes.
    Urmi KF, Finch AM, Griffith R.
    J Mol Graph Model; 2017 Sep 14; 76():488-503. PubMed ID: 28818718
    [Abstract] [Full Text] [Related]

  • 15. Characterization of Ligand Binding to GPCRs Through Computational Methods.
    Vasile S, Esguerra M, Jespers W, Oliveira A, Sallander J, Åqvist J, Gutiérrez-de-Terán H.
    Methods Mol Biol; 2018 Sep 14; 1705():23-44. PubMed ID: 29188557
    [Abstract] [Full Text] [Related]

  • 16. 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 14; 16(3):e1007680. PubMed ID: 32168319
    [Abstract] [Full Text] [Related]

  • 17. 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 14; 522():279-336. PubMed ID: 23374191
    [Abstract] [Full Text] [Related]

  • 18. Galaxy7TM: flexible GPCR-ligand docking by structure refinement.
    Lee GR, Seok C.
    Nucleic Acids Res; 2016 Jul 08; 44(W1):W502-6. PubMed ID: 27131365
    [Abstract] [Full Text] [Related]

  • 19. G protein-coupled receptor transmembrane binding pockets and their applications in GPCR research and drug discovery: a survey.
    Kratochwil NA, Gatti-McArthur S, Hoener MC, Lindemann L, Christ AD, Green LG, Guba W, Martin RE, Malherbe P, Porter RH, Slack JP, Winnig M, Dehmlow H, Grether U, Hertel C, Narquizian R, Panousis CG, Kolczewski S, Steward L.
    Curr Top Med Chem; 2011 Jul 08; 11(15):1902-24. PubMed ID: 21470172
    [Abstract] [Full Text] [Related]

  • 20. Class A GPCRs: Structure, Function, Modeling and Structure-based Ligand Design.
    Cong X, Topin J, Golebiowski J.
    Curr Pharm Des; 2017 Nov 16; 23(29):4390-4409. PubMed ID: 28699533
    [Abstract] [Full Text] [Related]

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