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 *

85 related articles for article (PubMed ID: 10660906)

  • 1. Binning schemes for partition-based compound selection.
    Bayley MJ; Willett P
    J Mol Graph Model; 1999 Feb; 17(1):10-8. PubMed ID: 10660906
    [TBL] [Abstract][Full Text] [Related]  

  • 2. An ontology for pharmaceutical ligands and its application for in silico screening and library design.
    Schuffenhauer A; Zimmermann J; Stoop R; van der Vyver JJ; Lecchini S; Jacoby E
    J Chem Inf Comput Sci; 2002; 42(4):947-55. PubMed ID: 12132896
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Molecular scaffold-based design and comparison of combinatorial libraries focused on the ATP-binding site of protein kinases.
    Stahura FL; Xue L; Godden JW; Bajorath J
    J Mol Graph Model; 1999 Feb; 17(1):1-9, 51-2. PubMed ID: 10660905
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Tautomerism in computer-aided drug design.
    Pospisil P; Ballmer P; Scapozza L; Folkers G
    J Recept Signal Transduct Res; 2003; 23(4):361-71. PubMed ID: 14753297
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Similarity metrics for ligands reflecting the similarity of the target proteins.
    Schuffenhauer A; Floersheim P; Acklin P; Jacoby E
    J Chem Inf Comput Sci; 2003; 43(2):391-405. PubMed ID: 12653501
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Functional group placement in protein binding sites: a comparison of GRID and MCSS.
    Bitetti-Putzer R; Joseph-McCarthy D; Hogle JM; Karplus M
    J Comput Aided Mol Des; 2001 Oct; 15(10):935-60. PubMed ID: 11918077
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Dissimilarity-based algorithms for selecting structurally diverse sets of compounds.
    Willett P
    J Comput Biol; 1999; 6(3-4):447-57. PubMed ID: 10582578
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Impact of different software implementations on the performance of the Maxmin method for diverse subset selection.
    Schmuker M; Givehchi A; Schneider G
    Mol Divers; 2004; 8(4):421-5. PubMed ID: 15612646
    [TBL] [Abstract][Full Text] [Related]  

  • 9. In silico fragment screening by replica generation (FSRG) method for fragment-based drug design.
    Fukunishi Y; Mashimo T; Orita M; Ohno K; Nakamura H
    J Chem Inf Model; 2009 Apr; 49(4):925-33. PubMed ID: 19354203
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Diversity in medicinal chemistry space.
    Gorse AD
    Curr Top Med Chem; 2006; 6(1):3-18. PubMed ID: 16454754
    [TBL] [Abstract][Full Text] [Related]  

  • 11. JEDA: Joint entropy diversity analysis. An information-theoretic method for choosing diverse and representative subsets from combinatorial libraries.
    Landon MR; Schaus SE
    Mol Divers; 2006 Aug; 10(3):333-9. PubMed ID: 17031536
    [TBL] [Abstract][Full Text] [Related]  

  • 12. GRID-MD-A tool for massive simulation of protein channels.
    Carrillo O; Orozco M
    Proteins; 2008 Feb; 70(3):892-9. PubMed ID: 17803238
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The design of screening libraries targeted at G-protein coupled receptors.
    Crossley R
    Curr Top Med Chem; 2004; 4(6):581-8. PubMed ID: 14965295
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Median Partitioning: a novel method for the selection of representative subsets from large compound pools.
    Godden JW; Xue L; Kitchen DB; Stahura FL; Schermerhorn EJ; Bajorath J
    J Chem Inf Comput Sci; 2002; 42(4):885-93. PubMed ID: 12132890
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Systematic exploitation of multiple receptor conformations for virtual ligand screening.
    Bottegoni G; Rocchia W; Rueda M; Abagyan R; Cavalli A
    PLoS One; 2011; 6(5):e18845. PubMed ID: 21625529
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Partitioning methods for the identification of active molecules.
    Stahura FL; Bajorath J
    Curr Med Chem; 2003 Apr; 10(8):707-15. PubMed ID: 12678788
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Prediction of individual compounds forming activity cliffs using emerging chemical patterns.
    Namasivayam V; Iyer P; Bajorath J
    J Chem Inf Model; 2013 Dec; 53(12):3131-9. PubMed ID: 24304008
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Creating the New from the Old: Combinatorial Libraries Generation with Machine-Learning-Based Compound Structure Optimization.
    Podlewska S; Czarnecki WM; Kafel R; Bojarski AJ
    J Chem Inf Model; 2017 Feb; 57(2):133-147. PubMed ID: 28158942
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Time-efficient docking of flexible ligands into active sites of proteins.
    Rarey M; Kramer B; Lengauer T
    Proc Int Conf Intell Syst Mol Biol; 1995; 3():300-8. PubMed ID: 7584452
    [TBL] [Abstract][Full Text] [Related]  

  • 20.
    ; ; . PubMed ID:
    [No Abstract]   [Full Text] [Related]  

    [Next]    [New Search]
    of 5.