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.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

311 related items for PubMed ID: 21736376

  • 1. Conserved core substructures in the overlay of protein-ligand complexes.
    Finzel BC, Akavaram R, Ragipindi A, Van Voorst JR, Cahn M, Davis ME, Pokross ME, Sheriff S, Baldwin ET.
    J Chem Inf Model; 2011 Aug 22; 51(8):1931-41. PubMed ID: 21736376
    [Abstract] [Full Text] [Related]

  • 2. Designing a new Diels-Alderase: a combinatorial, semirational approach including dynamic optimization.
    Linder M, Johansson AJ, Olsson TS, Liebeschuetz J, Brinck T.
    J Chem Inf Model; 2011 Aug 22; 51(8):1906-17. PubMed ID: 21780795
    [Abstract] [Full Text] [Related]

  • 3. Profile-QSAR: a novel meta-QSAR method that combines activities across the kinase family to accurately predict affinity, selectivity, and cellular activity.
    Martin E, Mukherjee P, Sullivan D, Jansen J.
    J Chem Inf Model; 2011 Aug 22; 51(8):1942-56. PubMed ID: 21667971
    [Abstract] [Full Text] [Related]

  • 4. Assay Related Target Similarity (ARTS) - chemogenomics approach for quantitative comparison of biological targets.
    Bieler M, Heilker R, Köppen H, Schneider G.
    J Chem Inf Model; 2011 Aug 22; 51(8):1897-905. PubMed ID: 21761911
    [Abstract] [Full Text] [Related]

  • 5. A data mining method to facilitate SAR transfer.
    Wassermann AM, Bajorath J.
    J Chem Inf Model; 2011 Aug 22; 51(8):1857-66. PubMed ID: 21774471
    [Abstract] [Full Text] [Related]

  • 6. In silico carborane docking to proteins and potential drug targets.
    Calvaresi M, Zerbetto F.
    J Chem Inf Model; 2011 Aug 22; 51(8):1882-96. PubMed ID: 21774557
    [Abstract] [Full Text] [Related]

  • 7. Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery.
    Pérot S, Sperandio O, Miteva MA, Camproux AC, Villoutreix BO.
    Drug Discov Today; 2010 Aug 22; 15(15-16):656-67. PubMed ID: 20685398
    [Abstract] [Full Text] [Related]

  • 8. Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures.
    Strömbergsson H, Kryshtafovych A, Prusis P, Fidelis K, Wikberg JE, Komorowski J, Hvidsten TR.
    Proteins; 2006 Nov 15; 65(3):568-79. PubMed ID: 16948162
    [Abstract] [Full Text] [Related]

  • 9. Integrated decision support for assessing chemical liabilities.
    Spjuth O, Eklund M, Ahlberg Helgee E, Boyer S, Carlsson L.
    J Chem Inf Model; 2011 Aug 22; 51(8):1840-7. PubMed ID: 21774475
    [Abstract] [Full Text] [Related]

  • 10. CORES: an automated method for generating three-dimensional models of protein/ligand complexes.
    Hare BJ, Walters WP, Caron PR, Bemis GW.
    J Med Chem; 2004 Sep 09; 47(19):4731-40. PubMed ID: 15341488
    [Abstract] [Full Text] [Related]

  • 11. New 4-point pharmacophore method for molecular similarity and diversity applications: overview of the method and applications, including a novel approach to the design of combinatorial libraries containing privileged substructures.
    Mason JS, Morize I, Menard PR, Cheney DL, Hulme C, Labaudiniere RF.
    J Med Chem; 1999 Aug 26; 42(17):3251-64. PubMed ID: 10464012
    [Abstract] [Full Text] [Related]

  • 12. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN, Abagyan RA.
    J Mol Biol; 2004 Mar 12; 337(1):209-25. PubMed ID: 15001363
    [Abstract] [Full Text] [Related]

  • 13. Large-scale similarity search profiling of ChEMBL compound data sets.
    Heikamp K, Bajorath J.
    J Chem Inf Model; 2011 Aug 22; 51(8):1831-9. PubMed ID: 21728295
    [Abstract] [Full Text] [Related]

  • 14. An extensive and diverse set of molecular overlays for the validation of pharmacophore programs.
    Giangreco I, Cosgrove DA, Packer MJ.
    J Chem Inf Model; 2013 Apr 22; 53(4):852-66. PubMed ID: 23565904
    [Abstract] [Full Text] [Related]

  • 15. From activity cliffs to activity ridges: informative data structures for SAR analysis.
    Vogt M, Huang Y, Bajorath J.
    J Chem Inf Model; 2011 Aug 22; 51(8):1848-56. PubMed ID: 21761918
    [Abstract] [Full Text] [Related]

  • 16. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC.
    Curr Opin Drug Discov Devel; 2008 May 22; 11(3):356-64. PubMed ID: 18428089
    [Abstract] [Full Text] [Related]

  • 17. KLIFS: a knowledge-based structural database to navigate kinase-ligand interaction space.
    van Linden OP, Kooistra AJ, Leurs R, de Esch IJ, de Graaf C.
    J Med Chem; 2014 Jan 23; 57(2):249-77. PubMed ID: 23941661
    [Abstract] [Full Text] [Related]

  • 18. Ligand and decoy sets for docking to G protein-coupled receptors.
    Gatica EA, Cavasotto CN.
    J Chem Inf Model; 2012 Jan 23; 52(1):1-6. PubMed ID: 22168315
    [Abstract] [Full Text] [Related]

  • 19. Predicting the accuracy of ligand overlay methods with Random Forest models.
    Nandigam RK, Evans DA, Erickson JA, Kim S, Sutherland JJ.
    J Chem Inf Model; 2008 Dec 23; 48(12):2386-94. PubMed ID: 19053524
    [Abstract] [Full Text] [Related]

  • 20. Domain-based small molecule binding site annotation.
    Snyder KA, Feldman HJ, Dumontier M, Salama JJ, Hogue CW.
    BMC Bioinformatics; 2006 Mar 17; 7():152. PubMed ID: 16545112
    [Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 16.