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 *

176 related articles for article (PubMed ID: 22515569)

  • 1. Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering.
    Osguthorpe DJ; Sherman W; Hagler AT
    Chem Biol Drug Des; 2012 Aug; 80(2):182-93. PubMed ID: 22515569
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
    Huang SY; Zou X
    Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Exploring protein flexibility: incorporating structural ensembles from crystal structures and simulation into virtual screening protocols.
    Osguthorpe DJ; Sherman W; Hagler AT
    J Phys Chem B; 2012 Jun; 116(23):6952-9. PubMed ID: 22424156
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance.
    Perola E; Walters WP; Charifson PS
    Proteins; 2004 Aug; 56(2):235-49. PubMed ID: 15211508
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Integrating ligand-based and protein-centric virtual screening of kinase inhibitors using ensembles of multiple protein kinase genes and conformations.
    Dixit A; Verkhivker GM
    J Chem Inf Model; 2012 Oct; 52(10):2501-15. PubMed ID: 22992037
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Efficient molecular docking of NMR structures: application to HIV-1 protease.
    Huang SY; Zou X
    Protein Sci; 2007 Jan; 16(1):43-51. PubMed ID: 17123961
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Assessing an ensemble docking-based virtual screening strategy for kinase targets by considering protein flexibility.
    Tian S; Sun H; Pan P; Li D; Zhen X; Li Y; Hou T
    J Chem Inf Model; 2014 Oct; 54(10):2664-79. PubMed ID: 25233367
    [TBL] [Abstract][Full Text] [Related]  

  • 9. FlexE: efficient molecular docking considering protein structure variations.
    Claussen H; Buning C; Rarey M; Lengauer T
    J Mol Biol; 2001 Apr; 308(2):377-95. PubMed ID: 11327774
    [TBL] [Abstract][Full Text] [Related]  

  • 10. E-novo: an automated workflow for efficient structure-based lead optimization.
    Pearce BC; Langley DR; Kang J; Huang H; Kulkarni A
    J Chem Inf Model; 2009 Jul; 49(7):1797-809. PubMed ID: 19552372
    [TBL] [Abstract][Full Text] [Related]  

  • 11. De novo ligand design to an ensemble of protein structures.
    Todorov NP; Buenemann CL; Alberts IL
    Proteins; 2006 Jul; 64(1):43-59. PubMed ID: 16555306
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Exploring experimental sources of multiple protein conformations in structure-based drug design.
    Damm KL; Carlson HA
    J Am Chem Soc; 2007 Jul; 129(26):8225-35. PubMed ID: 17555316
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Protein-ligand docking accounting for receptor side chain and global flexibility in normal modes: evaluation on kinase inhibitor cross docking.
    May A; Zacharias M
    J Med Chem; 2008 Jun; 51(12):3499-506. PubMed ID: 18517186
    [TBL] [Abstract][Full Text] [Related]  

  • 14. 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]  

  • 15. 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]  

  • 16. A scalable and accurate method for classifying protein-ligand binding geometries using a MapReduce approach.
    Estrada T; Zhang B; Cicotti P; Armen RS; Taufer M
    Comput Biol Med; 2012 Jul; 42(7):758-71. PubMed ID: 22658682
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case.
    Meagher KL; Carlson HA
    J Am Chem Soc; 2004 Oct; 126(41):13276-81. PubMed ID: 15479081
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Application of Monte Carlo-based receptor ensemble docking to virtual screening for GPCR ligands.
    Vilar S; Costanzi S
    Methods Enzymol; 2013; 522():263-78. PubMed ID: 23374190
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Comparison of structure- and ligand-based virtual screening protocols considering hit list complementarity and enrichment factors.
    Krüger DM; Evers A
    ChemMedChem; 2010 Jan; 5(1):148-58. PubMed ID: 19908272
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Targeting dynamic pockets of HIV-1 protease by structure-based computational screening for allosteric inhibitors.
    Kunze J; Todoroff N; Schneider P; Rodrigues T; Geppert T; Reisen F; Schreuder H; Saas J; Hessler G; Baringhaus KH; Schneider G
    J Chem Inf Model; 2014 Mar; 54(3):987-91. PubMed ID: 24528206
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.