BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

269 related articles for article (PubMed ID: 25461773)

  • 1. Methods for generating and applying pharmacophore models as virtual screening filters and for bioactivity profiling.
    Vuorinen A; Schuster D
    Methods; 2015 Jan; 71():113-34. PubMed ID: 25461773
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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]  

  • 3. 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]  

  • 4. Virtual screening of cathepsin k inhibitors using docking and pharmacophore models.
    Ravikumar M; Pavan S; Bairy S; Pramod AB; Sumakanth M; Kishore M; Sumithra T
    Chem Biol Drug Des; 2008 Jul; 72(1):79-90. PubMed ID: 18498326
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structure-Based Virtual Screening.
    Li Q; Shah S
    Methods Mol Biol; 2017; 1558():111-124. PubMed ID: 28150235
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Discovery of a small-molecule inhibitor of STAT3 by ligand-based pharmacophore screening.
    Leung KH; Liu LJ; Lin S; Lu L; Zhong HJ; Susanti D; Rao W; Wang M; Che WI; Chan DS; Leung CH; Chan PW; Ma DL
    Methods; 2015 Jan; 71():38-43. PubMed ID: 25160651
    [TBL] [Abstract][Full Text] [Related]  

  • 7. 3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors.
    Sakkiah S; Thangapandian S; John S; Kwon YJ; Lee KW
    Eur J Med Chem; 2010 Jun; 45(6):2132-40. PubMed ID: 20206418
    [TBL] [Abstract][Full Text] [Related]  

  • 8. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
    Koutsoukas A; Paricharak S; Galloway WR; Spring DR; Ijzerman AP; Glen RC; Marcus D; Bender A
    J Chem Inf Model; 2014 Jan; 54(1):230-42. PubMed ID: 24289493
    [TBL] [Abstract][Full Text] [Related]  

  • 9. On the value of homology models for virtual screening: discovering hCXCR3 antagonists by pharmacophore-based and structure-based approaches.
    Huang D; Gu Q; Ge H; Ye J; Salam NK; Hagler A; Chen H; Xu J
    J Chem Inf Model; 2012 May; 52(5):1356-66. PubMed ID: 22545675
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles.
    Lans I; Palacio-Rodríguez K; Cavasotto CN; Cossio P
    J Comput Aided Mol Des; 2020 Oct; 34(10):1063-1077. PubMed ID: 32656619
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Molecular fingerprint similarity search in virtual screening.
    Cereto-Massagué A; Ojeda MJ; Valls C; Mulero M; Garcia-Vallvé S; Pujadas G
    Methods; 2015 Jan; 71():58-63. PubMed ID: 25132639
    [TBL] [Abstract][Full Text] [Related]  

  • 14. De novo design based pharmacophore query generation and virtual screening for the discovery of Hsp-47 inhibitors.
    Katarkar A; Haldar PK; Chaudhuri K
    Biochem Biophys Res Commun; 2015 Jan; 456(3):707-13. PubMed ID: 25522881
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Virtual screening strategies in drug discovery.
    McInnes C
    Curr Opin Chem Biol; 2007 Oct; 11(5):494-502. PubMed ID: 17936059
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Multi-Pharmacophore Modeling of Caspase-3 Inhibitors using Crystal, Dock and Flexible Conformation Schemes.
    Kumar SP; Jha PC
    Comb Chem High Throughput Screen; 2018; 21(1):26-40. PubMed ID: 29295689
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening.
    Klabunde T; Giegerich C; Evers A
    J Med Chem; 2009 May; 52(9):2923-32. PubMed ID: 19374402
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Pharmacophore modeling and virtual screening for designing potential 5-lipoxygenase inhibitors.
    Aparoy P; Kumar Reddy K; Kalangi SK; Chandramohan Reddy T; Reddanna P
    Bioorg Med Chem Lett; 2010 Feb; 20(3):1013-8. PubMed ID: 20045317
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Multiple pharmacophore models combined with molecular docking: a reliable way for efficiently identifying novel PDE4 inhibitors with high structural diversity.
    Chen Z; Tian G; Wang Z; Jiang H; Shen J; Zhu W
    J Chem Inf Model; 2010 Apr; 50(4):615-25. PubMed ID: 20353193
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Pharmacophore-based virtual screening.
    Horvath D
    Methods Mol Biol; 2011; 672():261-98. PubMed ID: 20838973
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 14.