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Journal Abstract Search

417 related items for PubMed ID: 17554858

  • 1. Molecular optimization using computational multi-objective methods.
    Nicolaou CA, Brown N, Pattichis CS.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):316-24. PubMed ID: 17554858
    [Abstract] [Full Text] [Related]

  • 2. Informatics and modeling challenges in fragment-based drug discovery.
    Hubbard RE, Chen I, Davis B.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):289-97. PubMed ID: 17554855
    [Abstract] [Full Text] [Related]

  • 3. Lead optimization via high-throughput molecular docking.
    Joseph-McCarthy D, Baber JC, Feyfant E, Thompson DC, Humblet C.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):264-74. PubMed ID: 17554852
    [Abstract] [Full Text] [Related]

  • 4. Ranking poses in structure-based lead discovery and optimization: current trends in scoring function development.
    Rajamani R, Good AC.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):308-15. PubMed ID: 17554857
    [Abstract] [Full Text] [Related]

  • 5. Molecular modeling of hydration in drug design.
    Mancera RL.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):275-80. PubMed ID: 17554853
    [Abstract] [Full Text] [Related]

  • 6. Importance of molecular computer modeling in anticancer drug development.
    Geromichalos GD.
    J BUON; 2007 Sep; 12 Suppl 1():S101-18. PubMed ID: 17935268
    [Abstract] [Full Text] [Related]

  • 7. In silico identification of bioisosteric functional groups.
    Ertl P.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):281-8. PubMed ID: 17554854
    [Abstract] [Full Text] [Related]

  • 8. Desirability-based methods of multiobjective optimization and ranking for global QSAR studies. Filtering safe and potent drug candidates from combinatorial libraries.
    Cruz-Monteagudo M, Borges F, Cordeiro MN, Cagide Fajin JL, Morell C, Ruiz RM, Cañizares-Carmenate Y, Dominguez ER.
    J Comb Chem; 2008 May; 10(6):897-913. PubMed ID: 18855460
    [Abstract] [Full Text] [Related]

  • 9. Strategies of multi-objective optimization in drug discovery and development.
    Nicolotti O, Giangreco I, Introcaso A, Leonetti F, Stefanachi A, Carotti A.
    Expert Opin Drug Discov; 2011 Sep; 6(9):871-84. PubMed ID: 22646211
    [Abstract] [Full Text] [Related]

  • 10. Physics-based methods for studying protein-ligand interactions.
    Huang N, Jacobson MP.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):325-31. PubMed ID: 17554859
    [Abstract] [Full Text] [Related]

  • 11. Pocket extraction on proteins via the Voronoi diagram of spheres.
    Kim D, Cho CH, Cho Y, Ryu J, Bhak J, Kim DS.
    J Mol Graph Model; 2008 Apr; 26(7):1104-12. PubMed ID: 18023220
    [Abstract] [Full Text] [Related]

  • 12. Basic overview of chemoinformatics.
    Engel T.
    J Chem Inf Model; 2006 Apr; 46(6):2267-77. PubMed ID: 17125169
    [Abstract] [Full Text] [Related]

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

  • 14. Virtual high-throughput screening of molecular databases.
    Seifert MH, Kraus J, Kramer B.
    Curr Opin Drug Discov Devel; 2007 May; 10(3):298-307. PubMed ID: 17554856
    [Abstract] [Full Text] [Related]

  • 15. Recent trends in library design: 'rational design' revisited.
    Schnur DM.
    Curr Opin Drug Discov Devel; 2008 May; 11(3):375-80. PubMed ID: 18428091
    [Abstract] [Full Text] [Related]

  • 16. Pareto optimization in computational protein design with multiple objectives.
    Suárez M, Tortosa P, Carrera J, Jaramillo A.
    J Comput Chem; 2008 Dec; 29(16):2704-11. PubMed ID: 18496793
    [Abstract] [Full Text] [Related]

  • 17. Structure-based drug metabolism predictions for drug design.
    Sun H, Scott DO.
    Chem Biol Drug Des; 2010 Jan; 75(1):3-17. PubMed ID: 19878193
    [Abstract] [Full Text] [Related]

  • 18. Synthetic library design.
    Huwe CM.
    Drug Discov Today; 2006 Aug; 11(15-16):763-7. PubMed ID: 16846805
    [Abstract] [Full Text] [Related]

  • 19. 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]

  • 20. Conformational sampling of bioactive molecules: a comparative study.
    Agrafiotis DK, Gibbs AC, Zhu F, Izrailev S, Martin E.
    J Chem Inf Model; 2007 Aug 22; 47(3):1067-86. PubMed ID: 17411028
    [Abstract] [Full Text] [Related]

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