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Journal Abstract Search

344 related items for PubMed ID: 26260606

  • 1. Docking and Virtual Screening Strategies for GPCR Drug Discovery.
    Beuming T, Lenselink B, Pala D, McRobb F, Repasky M, Sherman W.
    Methods Mol Biol; 2015; 1335():251-76. PubMed ID: 26260606
    [Abstract] [Full Text] [Related]

  • 2. 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]

  • 3. Extended template-based modeling and evaluation method using consensus of binding mode of GPCRs for virtual screening.
    Sato M, Hirokawa T.
    J Chem Inf Model; 2014 Nov 24; 54(11):3153-61. PubMed ID: 25350693
    [Abstract] [Full Text] [Related]

  • 4. 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 24; 13(11):e1005819. PubMed ID: 29131821
    [Abstract] [Full Text] [Related]

  • 5. 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 Nov 24; 522():279-336. PubMed ID: 23374191
    [Abstract] [Full Text] [Related]

  • 6. Homology model-based virtual screening for GPCR ligands using docking and target-biased scoring.
    Radestock S, Weil T, Renner S.
    J Chem Inf Model; 2008 May 24; 48(5):1104-17. PubMed ID: 18442221
    [Abstract] [Full Text] [Related]

  • 7. Target based virtual screening by docking into automatically generated GPCR models.
    Tautermann CS.
    Methods Mol Biol; 2012 May 24; 914():255-70. PubMed ID: 22976033
    [Abstract] [Full Text] [Related]

  • 8. 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]

  • 9. 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]

  • 10. Importance of protein dynamics in the structure-based drug discovery of class A G protein-coupled receptors (GPCRs).
    Lee Y, Lazim R, Macalino SJY, Choi S.
    Curr Opin Struct Biol; 2019 Apr 15; 55():147-153. PubMed ID: 31102980
    [Abstract] [Full Text] [Related]

  • 11. 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 24; 6():28288. PubMed ID: 27339552
    [Abstract] [Full Text] [Related]

  • 12. Virtual Screening of Human Class-A GPCRs Using Ligand Profiles Built on Multiple Ligand-Receptor Interactions.
    Chan WKB, Zhang Y.
    J Mol Biol; 2020 Aug 07; 432(17):4872-4890. PubMed ID: 32652079
    [Abstract] [Full Text] [Related]

  • 13. 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 07; 80():38-47. PubMed ID: 29306746
    [Abstract] [Full Text] [Related]

  • 14. Molecular modeling of vasopressin receptor and in silico screening of V1b receptor antagonists.
    Hagiwara Y, Ohno K, Kamohara M, Takasaki J, Watanabe T, Fukunishi Y, Nakamura H, Orita M.
    Expert Opin Drug Discov; 2013 Aug 07; 8(8):951-64. PubMed ID: 23682717
    [Abstract] [Full Text] [Related]

  • 15. CRDOCK: an ultrafast multipurpose protein-ligand docking tool.
    Cortés Cabrera Á, Klett J, Dos Santos HG, Perona A, Gil-Redondo R, Francis SM, Priego EM, Gago F, Morreale A.
    J Chem Inf Model; 2012 Aug 27; 52(8):2300-9. PubMed ID: 22764680
    [Abstract] [Full Text] [Related]

  • 16. 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]

  • 17. Efficiency of Homology Modeling Assisted Molecular Docking in G-protein Coupled Receptors.
    Bhunia SS, Saxena AK.
    Curr Top Med Chem; 2021 Sep 27; 21(4):269-294. PubMed ID: 32901584
    [Abstract] [Full Text] [Related]

  • 18. A virtual screen for diverse ligands: discovery of selective G protein-coupled receptor antagonists.
    Engel S, Skoumbourdis AP, Childress J, Neumann S, Deschamps JR, Thomas CJ, Colson AO, Costanzi S, Gershengorn MC.
    J Am Chem Soc; 2008 Apr 16; 130(15):5115-23. PubMed ID: 18357984
    [Abstract] [Full Text] [Related]

  • 19. Computational methods for studying G protein-coupled receptors (GPCRs).
    Kaczor AA, Rutkowska E, Bartuzi D, Targowska-Duda KM, Matosiuk D, Selent J.
    Methods Cell Biol; 2016 Apr 16; 132():359-99. PubMed ID: 26928552
    [Abstract] [Full Text] [Related]

  • 20. 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 16; 16(3):e1007680. PubMed ID: 32168319
    [Abstract] [Full Text] [Related]

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