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Journal Abstract Search

548 related items for PubMed ID: 17554854

  • 1. 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]

  • 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. 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]

  • 4. 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]

  • 5. 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]

  • 6. 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]

  • 7. 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]

  • 8. 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]

  • 9. Quest for the rings. In silico exploration of ring universe to identify novel bioactive heteroaromatic scaffolds.
    Ertl P, Jelfs S, Mühlbacher J, Schuffenhauer A, Selzer P.
    J Med Chem; 2006 Jul 27; 49(15):4568-73. PubMed ID: 16854061
    [Abstract] [Full Text] [Related]

  • 10. Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors.
    Nettles JH, Jenkins JL, Bender A, Deng Z, Davies JW, Glick M.
    J Med Chem; 2006 Nov 16; 49(23):6802-10. PubMed ID: 17154510
    [Abstract] [Full Text] [Related]

  • 11. Intramolecular hydrogen bonding in medicinal chemistry.
    Kuhn B, Mohr P, Stahl M.
    J Med Chem; 2010 Mar 25; 53(6):2601-11. PubMed ID: 20175530
    [Abstract] [Full Text] [Related]

  • 12.
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  • 13. Database of bioactive ring systems with calculated properties and its use in bioisosteric design and scaffold hopping.
    Ertl P.
    Bioorg Med Chem; 2012 Sep 15; 20(18):5436-42. PubMed ID: 22436390
    [Abstract] [Full Text] [Related]

  • 14. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC.
    Curr Opin Drug Discov Devel; 2008 May 15; 11(3):356-64. PubMed ID: 18428089
    [Abstract] [Full Text] [Related]

  • 15. In silico ADME modelling 2: computational models to predict human serum albumin binding affinity using ant colony systems.
    Gunturi SB, Narayanan R, Khandelwal A.
    Bioorg Med Chem; 2006 Jun 15; 14(12):4118-29. PubMed ID: 16504519
    [Abstract] [Full Text] [Related]

  • 16. [Strategy of molecular design of drugs: the unification of macro-properties and micro-structures of a molecule].
    Guo ZR.
    Yao Xue Xue Bao; 2008 Mar 15; 43(3):227-33. PubMed ID: 18630256
    [Abstract] [Full Text] [Related]

  • 17. An integrated in silico analysis of drug-binding to human serum albumin.
    Estrada E, Uriarte E, Molina E, Simón-Manso Y, Milne GW.
    J Chem Inf Model; 2006 Mar 15; 46(6):2709-24. PubMed ID: 17125211
    [Abstract] [Full Text] [Related]

  • 18. Basic overview of chemoinformatics.
    Engel T.
    J Chem Inf Model; 2006 Mar 15; 46(6):2267-77. PubMed ID: 17125169
    [Abstract] [Full Text] [Related]

  • 19. Development and validation of in silico models for estimating drug preformulation risk in PEG400/water and Tween80/water systems.
    Crivori P, Morelli A, Pezzetta D, Rocchetti M, Poggesi I.
    Eur J Pharm Sci; 2007 Nov 15; 32(3):169-81. PubMed ID: 17714921
    [Abstract] [Full Text] [Related]

  • 20. Prediction of protein-protein interaction inhibitors by chemoinformatics and machine learning methods.
    Neugebauer A, Hartmann RW, Klein CD.
    J Med Chem; 2007 Sep 20; 50(19):4665-8. PubMed ID: 17705363
    [Abstract] [Full Text] [Related]

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