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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

206 related articles for article (PubMed ID: 17411028)

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

  • 2. A distance geometry heuristic for expanding the range of geometries sampled during conformational search.
    Izrailev S; Zhu F; Agrafiotis DK
    J Comput Chem; 2006 Dec; 27(16):1962-9. PubMed ID: 17031897
    [TBL] [Abstract][Full Text] [Related]  

  • 3. On the effects of permuted input on conformational sampling of drug-like molecules: an evaluation of stochastic proximity embedding.
    Agrafiotis DK; Bandyopadhyay D; Carta G; Knox AJ; Lloyd DG
    Chem Biol Drug Des; 2007 Aug; 70(2):123-33. PubMed ID: 17683373
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Conformational analysis of macrocycles: finding what common search methods miss.
    Bonnet P; Agrafiotis DK; Zhu F; Martin E
    J Chem Inf Model; 2009 Oct; 49(10):2242-59. PubMed ID: 19807090
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Conformational sampling of druglike molecules with MOE and catalyst: implications for pharmacophore modeling and virtual screening.
    Chen IJ; Foloppe N
    J Chem Inf Model; 2008 Sep; 48(9):1773-91. PubMed ID: 18763758
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Impact of conformational flexibility on three-dimensional similarity searching using correlation vectors.
    Renner S; Schwab CH; Gasteiger J; Schneider G
    J Chem Inf Model; 2006; 46(6):2324-32. PubMed ID: 17125176
    [TBL] [Abstract][Full Text] [Related]  

  • 7. A self-organizing algorithm for molecular alignment and pharmacophore development.
    Bandyopadhyay D; Agrafiotis DK
    J Comput Chem; 2008 Apr; 29(6):965-82. PubMed ID: 17999384
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Flexible 3D pharmacophores as descriptors of dynamic biological space.
    Nettles JH; Jenkins JL; Williams C; Clark AM; Bender A; Deng Z; Davies JW; Glick M
    J Mol Graph Model; 2007 Oct; 26(3):622-33. PubMed ID: 17395510
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.
    Kirchmair J; Laggner C; Wolber G; Langer T
    J Chem Inf Model; 2005; 45(2):422-30. PubMed ID: 15807508
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Parameterization and conformational sampling effects in pharmacophore multiplet searching.
    Fox PC; Wolohan PR; Abrahamian E; Clark RD
    J Chem Inf Model; 2008 Dec; 48(12):2326-34. PubMed ID: 19053520
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Fully automated flexible docking of ligands into flexible synthetic receptors using forward and inverse docking strategies.
    Kämper A; Apostolakis J; Rarey M; Marian CM; Lengauer T
    J Chem Inf Model; 2006; 46(2):903-11. PubMed ID: 16563022
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Conformational diversity of ligands bound to proteins.
    Stockwell GR; Thornton JM
    J Mol Biol; 2006 Mar; 356(4):928-44. PubMed ID: 16405908
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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
    [TBL] [Abstract][Full Text] [Related]  

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

  • 16. Drug-like bioactive structures and conformational coverage with the LigPrep/ConfGen suite: comparison to programs MOE and catalyst.
    Chen IJ; Foloppe N
    J Chem Inf Model; 2010 May; 50(5):822-39. PubMed ID: 20423098
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Conformational analysis of drug-like molecules bound to proteins: an extensive study of ligand reorganization upon binding.
    Perola E; Charifson PS
    J Med Chem; 2004 May; 47(10):2499-510. PubMed ID: 15115393
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Atomic property fields: generalized 3D pharmacophoric potential for automated ligand superposition, pharmacophore elucidation and 3D QSAR.
    Totrov M
    Chem Biol Drug Des; 2008 Jan; 71(1):15-27. PubMed ID: 18069986
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Conformational sampling with stochastic proximity embedding and self-organizing superimposition: establishing reasonable parameters for their practical use.
    Tresadern G; Agrafiotis DK
    J Chem Inf Model; 2009 Dec; 49(12):2786-800. PubMed ID: 19919051
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Exploring the P2 and P3 ligand binding features for hepatitis C virus NS3 protease using some 3D QSAR techniques.
    Wei HY; Lu CS; Lin TH
    J Mol Graph Model; 2008 Apr; 26(7):1131-44. PubMed ID: 18024210
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.