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Journal Abstract Search

326 related items for PubMed ID: 25350693

  • 1. 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
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  • 4. 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
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  • 5. Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening.
    Klabunde T, Giegerich C, Evers A.
    J Med Chem; 2009 May 14; 52(9):2923-32. PubMed ID: 19374402
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  • 6. 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
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  • 7. From three-dimensional GPCR structure to rational ligand discovery.
    Kooistra AJ, Leurs R, de Esch IJ, de Graaf C.
    Adv Exp Med Biol; 2014 Jun 24; 796():129-57. PubMed ID: 24158804
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  • 8. Ligand-steered modeling and docking: A benchmarking study in class A G-protein-coupled receptors.
    Phatak SS, Gatica EA, Cavasotto CN.
    J Chem Inf Model; 2010 Dec 27; 50(12):2119-28. PubMed ID: 21080692
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  • 9. Finding ligands for G protein-coupled receptors based on the protein-compound affinity matrix.
    Fukunishi Y, Kubota S, Nakamura H.
    J Mol Graph Model; 2007 Jan 27; 25(5):633-43. PubMed ID: 16777448
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  • 10. Ligand-optimized homology models of D₁ and D₂ dopamine receptors: application for virtual screening.
    Kołaczkowski M, Bucki A, Feder M, Pawłowski M.
    J Chem Inf Model; 2013 Mar 25; 53(3):638-48. PubMed ID: 23398329
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  • 11. An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRs.
    Xia J, Jin H, Liu Z, Zhang L, Wang XS.
    J Chem Inf Model; 2014 May 27; 54(5):1433-50. PubMed ID: 24749745
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  • 12. Virtual screening of biogenic amine-binding G-protein coupled receptors: comparative evaluation of protein- and ligand-based virtual screening protocols.
    Evers A, Hessler G, Matter H, Klabunde T.
    J Med Chem; 2005 Aug 25; 48(17):5448-65. PubMed ID: 16107144
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  • 13. Combinatorial Consensus Scoring for Ligand-Based Virtual Fragment Screening: A Comparative Case Study for Serotonin 5-HT(3)A, Histamine H(1), and Histamine H(4) Receptors.
    Schultes S, Kooistra AJ, Vischer HF, Nijmeijer S, Haaksma EE, Leurs R, de Esch IJ, de Graaf C.
    J Chem Inf Model; 2015 May 26; 55(5):1030-44. PubMed ID: 25815783
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  • 14. 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 26; 80():38-47. PubMed ID: 29306746
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  • 15. 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]

  • 16. Selection of in silico drug screening results for G-protein-coupled receptors by using universal active probes.
    Wada M, Kanamori E, Nakamura H, Fukunishi Y.
    J Chem Inf Model; 2011 Sep 26; 51(9):2398-407. PubMed ID: 21848279
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  • 17. 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 26; 16(3):e1007680. PubMed ID: 32168319
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  • 18. Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors.
    Kortagere S, Welsh WJ.
    J Comput Aided Mol Des; 2006 Dec 26; 20(12):789-802. PubMed ID: 17054015
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  • 19. 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 26; 13(11):e1005819. PubMed ID: 29131821
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  • 20. An efficient multistep ligand-based virtual screening approach for GPR40 agonists.
    Yao S, Lu T, Zhou Z, Liu H, Yuan H, Ran T, Lu S, Zhang Y, Ke Z, Xu J, Xiong X, Chen Y.
    Mol Divers; 2014 Feb 26; 18(1):183-93. PubMed ID: 24307222
    [Abstract] [Full Text] [Related]

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