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 *

255 related articles for article (PubMed ID: 12546562)

  • 1. 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]  

  • 2. 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]  

  • 3. 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]  

  • 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. A web-based platform for virtual screening.
    Watson P; Verdonk M; Hartshorn MJ
    J Mol Graph Model; 2003 Sep; 22(1):71-82. PubMed ID: 12798392
    [TBL] [Abstract][Full Text] [Related]  

  • 6. IKKbeta inhibitors identification part I: homology model assisted structure based virtual screening.
    Nagarajan S; Doddareddy Mr; Choo H; Cho YS; Oh KS; Lee BH; Pae AN
    Bioorg Med Chem; 2009 Apr; 17(7):2759-66. PubMed ID: 19285872
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Discovering potassium channel blockers from synthetic compound database by using structure-based virtual screening in conjunction with electrophysiological assay.
    Liu H; Gao ZB; Yao Z; Zheng S; Li Y; Zhu W; Tan X; Luo X; Shen J; Chen K; Hu GY; Jiang H
    J Med Chem; 2007 Jan; 50(1):83-93. PubMed ID: 17201412
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Discovery of small molecule inhibitors of integrin alphavbeta3 through structure-based virtual screening.
    Zhou Y; Peng H; Ji Q; Qi J; Zhu Z; Yang C
    Bioorg Med Chem Lett; 2006 Nov; 16(22):5878-82. PubMed ID: 16982193
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Recursive median partitioning for virtual screening of large databases.
    Godden JW; Furr JR; Bajorath J
    J Chem Inf Comput Sci; 2003; 43(1):182-8. PubMed ID: 12546552
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Considerations in compound database preparation--"hidden" impact on virtual screening results.
    Knox AJ; Meegan MJ; Carta G; Lloyd DG
    J Chem Inf Model; 2005; 45(6):1908-19. PubMed ID: 16309298
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Virtual screening against Mycobacterium tuberculosis dihydrofolate reductase: suggested workflow for compound prioritization using structure interaction fingerprints.
    Kumar A; Siddiqi MI
    J Mol Graph Model; 2008 Nov; 27(4):476-88. PubMed ID: 18829358
    [TBL] [Abstract][Full Text] [Related]  

  • 13. In silico multi-filter screening approaches for developing novel beta-secretase inhibitors.
    Fujimoto T; Matsushita Y; Gouda H; Yamaotsu N; Hirono S
    Bioorg Med Chem Lett; 2008 May; 18(9):2771-5. PubMed ID: 18434150
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 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. Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach.
    Lakshmi PJ; Kumar BV; Nayana RS; Mohan MS; Bolligarla R; Das SK; Bhanu MU; Kondapi AK; Ravikumar M
    Bioorg Med Chem; 2009 Aug; 17(16):6040-7. PubMed ID: 19631549
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Assessment of chemical libraries for their druggability.
    Sirois S; Hatzakis G; Wei D; Du Q; Chou KC
    Comput Biol Chem; 2005 Feb; 29(1):55-67. PubMed ID: 15680586
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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]  

  • 19. Virtual screening for novel quorum sensing inhibitors to eradicate biofilm formation of Pseudomonas aeruginosa.
    Zeng Z; Qian L; Cao L; Tan H; Huang Y; Xue X; Shen Y; Zhou S
    Appl Microbiol Biotechnol; 2008 May; 79(1):119-26. PubMed ID: 18330563
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Critical comparison of virtual screening methods against the MUV data set.
    Tiikkainen P; Markt P; Wolber G; Kirchmair J; Distinto S; Poso A; Kallioniemi O
    J Chem Inf Model; 2009 Oct; 49(10):2168-78. PubMed ID: 19799417
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 13.