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 *

165 related articles for article (PubMed ID: 25250508)

  • 1. Importance of the pharmacological profile of the bound ligand in enrichment on nuclear receptors: toward the use of experimentally validated decoy ligands.
    Lagarde N; Zagury JF; Montes M
    J Chem Inf Model; 2014 Oct; 54(10):2915-44. PubMed ID: 25250508
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Structure-based virtual screening of the nociceptin receptor: hybrid docking and shape-based approaches for improved hit identification.
    Daga PR; Polgar WE; Zaveri NT
    J Chem Inf Model; 2014 Oct; 54(10):2732-43. PubMed ID: 25148595
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Toward a benchmarking data set able to evaluate ligand- and structure-based virtual screening using public HTS data.
    Lindh M; Svensson F; Schaal W; Zhang J; Sköld C; Brandt P; Karlén A
    J Chem Inf Model; 2015 Feb; 55(2):343-53. PubMed ID: 25564966
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Structure-based virtual screening of MT2 melatonin receptor: influence of template choice and structural refinement.
    Pala D; Beuming T; Sherman W; Lodola A; Rivara S; Mor M
    J Chem Inf Model; 2013 Apr; 53(4):821-35. PubMed ID: 23541165
    [TBL] [Abstract][Full Text] [Related]  

  • 5. New strategy for receptor-based pharmacophore query construction: a case study for 5-HT₇ receptor ligands.
    Kurczab R; Bojarski AJ
    J Chem Inf Model; 2013 Dec; 53(12):3233-43. PubMed ID: 24245803
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Comparative study on the use of docking and Bayesian categorization to predict ligand binding to nicotinic acetylcholine receptors (nAChRs) subtypes.
    Kombo DC; Bencherif M
    J Chem Inf Model; 2013 Dec; 53(12):3212-22. PubMed ID: 24328365
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ligand efficiency-based support vector regression models for predicting bioactivities of ligands to drug target proteins.
    Sugaya N
    J Chem Inf Model; 2014 Oct; 54(10):2751-63. PubMed ID: 25220713
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Discovery of new non-steroidal farnesoid X receptor modulators through 3D shape similarity search and structure-based virtual screening.
    Wang L; Si P; Sheng Y; Chen Y; Wan P; Shen X; Tang Y; Chen L; Li W
    Chem Biol Drug Des; 2015 Apr; 85(4):481-7. PubMed ID: 25228339
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Molecular dynamics-based virtual screening: accelerating the drug discovery process by high-performance computing.
    Ge H; Wang Y; Li C; Chen N; Xie Y; Xu M; He Y; Gu X; Wu R; Gu Q; Zeng L; Xu J
    J Chem Inf Model; 2013 Oct; 53(10):2757-64. PubMed ID: 24001302
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ligand aligning method for molecular docking: alignment of property-weighted vectors.
    Joung JY; Nam KY; Cho KH; No KT
    J Chem Inf Model; 2012 Apr; 52(4):984-95. PubMed ID: 22471323
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors.
    Sakkiah S; Thangapandian S; John S; Lee KW
    Eur J Med Chem; 2011 Jul; 46(7):2937-47. PubMed ID: 21531051
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Molecular topology applied to the discovery of 1-benzyl-2-(3-fluorophenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrole-5-one as a non-ligand-binding-pocket antiandrogen.
    Caboni L; Gálvez-Llompart M; Gálvez J; Blanco F; Rubio-Martinez J; Fayne D; Lloyd DG
    J Chem Inf Model; 2014 Oct; 54(10):2953-66. PubMed ID: 25233256
    [TBL] [Abstract][Full Text] [Related]  

  • 14. QSAR classification model for antibacterial compounds and its use in virtual screening.
    Singh N; Chaudhury S; Liu R; AbdulHameed MD; Tawa G; Wallqvist A
    J Chem Inf Model; 2012 Oct; 52(10):2559-69. PubMed ID: 23013546
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Recognizing pitfalls in virtual screening: a critical review.
    Scior T; Bender A; Tresadern G; Medina-Franco JL; Martínez-Mayorga K; Langer T; Cuanalo-Contreras K; Agrafiotis DK
    J Chem Inf Model; 2012 Apr; 52(4):867-81. PubMed ID: 22435959
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Molecular modeling of the 3D structure of 5-HT(1A)R: discovery of novel 5-HT(1A)R agonists via dynamic pharmacophore-based virtual screening.
    Xu L; Zhou S; Yu K; Gao B; Jiang H; Zhen X; Fu W
    J Chem Inf Model; 2013 Dec; 53(12):3202-11. PubMed ID: 24245825
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Benchmark data sets for structure-based computational target prediction.
    Schomburg KT; Rarey M
    J Chem Inf Model; 2014 Aug; 54(8):2261-74. PubMed ID: 25084060
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Beware of machine learning-based scoring functions-on the danger of developing black boxes.
    Gabel J; Desaphy J; Rognan D
    J Chem Inf Model; 2014 Oct; 54(10):2807-15. PubMed ID: 25207678
    [TBL] [Abstract][Full Text] [Related]  

  • 20. In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.
    Hoffer L; Renaud JP; Horvath D
    J Chem Inf Model; 2013 Apr; 53(4):836-51. PubMed ID: 23537132
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 9.