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 *

136 related articles for article (PubMed ID: 17824600)

  • 1. Toward high throughput 3D virtual screening using spherical harmonic surface representations.
    Mavridis L; Hudson BD; Ritchie DW
    J Chem Inf Model; 2007; 47(5):1787-96. PubMed ID: 17824600
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Unconventional 2D shape similarity method affords comparable enrichment as a 3D shape method in virtual screening experiments.
    Ebalunode JO; Zheng W
    J Chem Inf Model; 2009 Jun; 49(6):1313-20. PubMed ID: 19480404
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Virtual screening for R-groups, including predicted pIC50 contributions, within large structural databases, using Topomer CoMFA.
    Cramer RD; Cruz P; Stahl G; Curtiss WC; Campbell B; Masek BB; Soltanshahi F
    J Chem Inf Model; 2008 Nov; 48(11):2180-95. PubMed ID: 18956863
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Efficient 3D database screening for novel HIV-1 IN inhibitors.
    Barreca ML; Rao A; De Luca L; Zappalà M; Gurnari C; Monforte P; De Clercq E; Van Maele B; Debyser Z; Witvrouw M; Briggs JM; Chimirri A
    J Chem Inf Comput Sci; 2004; 44(4):1450-5. PubMed ID: 15272853
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Consideration of molecular weight during compound selection in virtual target-based database screening.
    Pan Y; Huang N; Cho S; MacKerell AD
    J Chem Inf Comput Sci; 2003; 43(1):267-72. PubMed ID: 12546562
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape-based virtual screening approach: further evidence for multiple binding sites within the CCR5 extracellular pocket.
    Pérez-Nueno VI; Ritchie DW; Borrell JI; Teixidó J
    J Chem Inf Model; 2008 Nov; 48(11):2146-65. PubMed ID: 18942828
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Novel technologies for virtual screening.
    Lengauer T; Lemmen C; Rarey M; Zimmermann M
    Drug Discov Today; 2004 Jan; 9(1):27-34. PubMed ID: 14761803
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Interconversion between 3D molecular representations: some macromolecular applications of spherical harmonic-Bessel expansions about an arbitrary center.
    Friedman JM
    Comput Chem; 1999 Jan; 23(1):9-23. PubMed ID: 10071860
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Development of a spectral clustering method for the analysis of molecular data sets.
    Brewer ML
    J Chem Inf Model; 2007; 47(5):1727-33. PubMed ID: 17636944
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
    Wei NN; Hamza A
    J Chem Inf Model; 2014 Jan; 54(1):338-46. PubMed ID: 24328054
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.
    Mizutani MY; Itai A
    J Med Chem; 2004 Sep; 47(20):4818-28. PubMed ID: 15369385
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Chemical database preparation for compound acquisition or virtual screening.
    Bologa CG; Olah MM; Oprea TI
    Methods Mol Biol; 2006; 316():375-88. PubMed ID: 16671410
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Similarity search profiles as a diagnostic tool for the analysis of virtual screening calculations.
    Xue L; Godden JW; Stahura FL; Bajorath J
    J Chem Inf Comput Sci; 2004; 44(4):1275-81. PubMed ID: 15272835
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
    Zhang X; Wong SE; Lightstone FC
    J Chem Inf Model; 2014 Jan; 54(1):324-37. PubMed ID: 24358939
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. gWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.
    Yan X; Li J; Gu Q; Xu J
    J Comput Chem; 2014 Jun; 35(15):1122-30. PubMed ID: 24729358
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Combining ethnopharmacology and virtual screening for lead structure discovery: COX-inhibitors as application example.
    Rollinger JM; Haupt S; Stuppner H; Langer T
    J Chem Inf Comput Sci; 2004; 44(2):480-8. PubMed ID: 15032527
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Representation of chemical information in OASIS centralized 3D database for existing chemicals.
    Nikolov N; Grancharov V; Stoyanova G; Pavlov T; Mekenyan O
    J Chem Inf Model; 2006; 46(6):2537-51. PubMed ID: 17125194
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.