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 *

137 related articles for article (PubMed ID: 21361385)

  • 1. ReverseScreen3D: a structure-based ligand matching method to identify protein targets.
    Kinnings SL; Jackson RM
    J Chem Inf Model; 2011 Mar; 51(3):624-34. PubMed ID: 21361385
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. A searchable database for comparing protein-ligand binding sites for the analysis of structure-function relationships.
    Gold ND; Jackson RM
    J Chem Inf Model; 2006; 46(2):736-42. PubMed ID: 16563004
    [TBL] [Abstract][Full Text] [Related]  

  • 4. SHAFTS: a hybrid approach for 3D molecular similarity calculation. 1. Method and assessment of virtual screening.
    Liu X; Jiang H; Li H
    J Chem Inf Model; 2011 Sep; 51(9):2372-85. PubMed ID: 21819157
    [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. FLEXS: a method for fast flexible ligand superposition.
    Lemmen C; Lengauer T; Klebe G
    J Med Chem; 1998 Nov; 41(23):4502-20. PubMed ID: 9804690
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Comparison of topological, shape, and docking methods in virtual screening.
    McGaughey GB; Sheridan RP; Bayly CI; Culberson JC; Kreatsoulas C; Lindsley S; Maiorov V; Truchon JF; Cornell WD
    J Chem Inf Model; 2007; 47(4):1504-19. PubMed ID: 17591764
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Ligand-based structural hypotheses for virtual screening.
    Jain AN
    J Med Chem; 2004 Feb; 47(4):947-61. PubMed ID: 14761196
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Novel inhibitor discovery through virtual screening against multiple protein conformations generated via ligand-directed modeling: a maternal embryonic leucine zipper kinase example.
    Mahasenan KV; Li C
    J Chem Inf Model; 2012 May; 52(5):1345-55. PubMed ID: 22540736
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Exploration of 3D activity cliffs on the basis of compound binding modes and comparison of 2D and 3D cliffs.
    Hu Y; Bajorath J
    J Chem Inf Model; 2012 Mar; 52(3):670-7. PubMed ID: 22394306
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ranking targets in structure-based virtual screening of three-dimensional protein libraries: methods and problems.
    Kellenberger E; Foata N; Rognan D
    J Chem Inf Model; 2008 May; 48(5):1014-25. PubMed ID: 18412328
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Protein flexibility in ligand docking and virtual screening to protein kinases.
    Cavasotto CN; Abagyan RA
    J Mol Biol; 2004 Mar; 337(1):209-25. PubMed ID: 15001363
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Scaffold hopping through virtual screening using 2D and 3D similarity descriptors: ranking, voting, and consensus scoring.
    Zhang Q; Muegge I
    J Med Chem; 2006 Mar; 49(5):1536-48. PubMed ID: 16509572
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Structure-based virtual screening with supervised consensus scoring: evaluation of pose prediction and enrichment factors.
    Teramoto R; Fukunishi H
    J Chem Inf Model; 2008 Apr; 48(4):747-54. PubMed ID: 18318474
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Screening of drug target proteins by 2D ligand matching approach.
    Feng J; Guo H; Wang J; Lu T
    Chem Biol Drug Des; 2014 Feb; 83(2):174-82. PubMed ID: 24034065
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Method for comparing the structures of protein ligand-binding sites and application for predicting protein-drug interactions.
    Minai R; Matsuo Y; Onuki H; Hirota H
    Proteins; 2008 Jul; 72(1):367-81. PubMed ID: 18214952
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Computational methodologies for compound database searching that utilize experimental protein-ligand interaction information.
    Tan L; Batista J; Bajorath J
    Chem Biol Drug Des; 2010 Sep; 76(3):191-200. PubMed ID: 20636330
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Using consensus-shape clustering to identify promiscuous ligands and protein targets and to choose the right query for shape-based virtual screening.
    Pérez-Nueno VI; Ritchie DW
    J Chem Inf Model; 2011 Jun; 51(6):1233-48. PubMed ID: 21604699
    [TBL] [Abstract][Full Text] [Related]  

  • 20. GPCR structure-based virtual screening approach for CB2 antagonist search.
    Chen JZ; Wang J; Xie XQ
    J Chem Inf Model; 2007; 47(4):1626-37. PubMed ID: 17580929
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.