BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

163 related articles for article (PubMed ID: 20839826)

  • 1. Electron density fingerprints (EDprints): virtual screening using assembled information of electron density.
    Kooistra AJ; Binsl TW; van Beek JH; de Graaf C; Heringa J
    J Chem Inf Model; 2010 Oct; 50(10):1772-80. PubMed ID: 20839826
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Performance evaluation of 2D fingerprint and 3D shape similarity methods in virtual screening.
    Hu G; Kuang G; Xiao W; Li W; Liu G; Tang Y
    J Chem Inf Model; 2012 May; 52(5):1103-13. PubMed ID: 22551340
    [TBL] [Abstract][Full Text] [Related]  

  • 3. LigMatch: a multiple structure-based ligand matching method for 3D virtual screening.
    Kinnings SL; Jackson RM
    J Chem Inf Model; 2009 Sep; 49(9):2056-66. PubMed ID: 19685924
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Rendering conventional molecular fingerprints for virtual screening independent of molecular complexity and size effects.
    Nisius B; Bajorath J
    ChemMedChem; 2010 Jun; 5(6):859-68. PubMed ID: 20425878
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Integrating structure- and ligand-based virtual screening: comparison of individual, parallel, and fused molecular docking and similarity search calculations on multiple targets.
    Tan L; Geppert H; Sisay MT; Gütschow M; Bajorath J
    ChemMedChem; 2008 Oct; 3(10):1566-71. PubMed ID: 18651695
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Comparison of ligand- and structure-based virtual screening on the DUD data set.
    von Korff M; Freyss J; Sander T
    J Chem Inf Model; 2009 Feb; 49(2):209-31. PubMed ID: 19434824
    [TBL] [Abstract][Full Text] [Related]  

  • 7. FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data set.
    Cross S; Baroni M; Carosati E; Benedetti P; Clementi S
    J Chem Inf Model; 2010 Aug; 50(8):1442-50. PubMed ID: 20690627
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Introduction of a generally applicable method to estimate retrieval of active molecules for similarity searching using fingerprints.
    Vogt M; Bajorath J
    ChemMedChem; 2007 Sep; 2(9):1311-20. PubMed ID: 17562536
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments.
    Sastry M; Lowrie JF; Dixon SL; Sherman W
    J Chem Inf Model; 2010 May; 50(5):771-84. PubMed ID: 20450209
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods.
    Duan J; Dixon SL; Lowrie JF; Sherman W
    J Mol Graph Model; 2010 Sep; 29(2):157-70. PubMed ID: 20579912
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.
    Venkatraman V; Pérez-Nueno VI; Mavridis L; Ritchie DW
    J Chem Inf Model; 2010 Dec; 50(12):2079-93. PubMed ID: 21090728
    [TBL] [Abstract][Full Text] [Related]  

  • 12. FieldScreen: virtual screening using molecular fields. Application to the DUD data set.
    Cheeseright TJ; Mackey MD; Melville JL; Vinter JG
    J Chem Inf Model; 2008 Nov; 48(11):2108-17. PubMed ID: 18991371
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Inverse frequency weighting of fragments for similarity-based virtual screening.
    Arif SM; Holliday JD; Willett P
    J Chem Inf Model; 2010 Aug; 50(8):1340-9. PubMed ID: 20672867
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Random reduction in fingerprint bit density improves compound recall in search calculations using complex reference molecules.
    Wang Y; Geppert H; Bajorath J
    Chem Biol Drug Des; 2008 Jun; 71(6):511-7. PubMed ID: 18466274
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Predicting the performance of fingerprint similarity searching.
    Vogt M; Bajorath J
    Methods Mol Biol; 2011; 672():159-73. PubMed ID: 20838968
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Ligand-based virtual screening and in silico design of new antimalarial compounds using nonstochastic and stochastic total and atom-type quadratic maps.
    Marrero-Ponce Y; Iyarreta-Veitía M; Montero-Torres A; Romero-Zaldivar C; Brandt CA; Avila PE; Kirchgatter K; Machado Y
    J Chem Inf Model; 2005; 45(4):1082-100. PubMed ID: 16045304
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures.
    Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
    Org Biomol Chem; 2004 Nov; 2(22):3256-66. PubMed ID: 15534703
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Novel 2D fingerprints for ligand-based virtual screening.
    Ewing T; Baber JC; Feher M
    J Chem Inf Model; 2006; 46(6):2423-31. PubMed ID: 17125184
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Comparative evaluation of 3D virtual ligand screening methods: impact of the molecular alignment on enrichment.
    Giganti D; Guillemain H; Spadoni JL; Nilges M; Zagury JF; Montes M
    J Chem Inf Model; 2010 Jun; 50(6):992-1004. PubMed ID: 20527883
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.