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 *

120 related articles for article (PubMed ID: 22823989)

  • 1. Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design.
    Musafia B; Senderowitz H
    Expert Opin Drug Discov; 2010 Oct; 5(10):943-59. PubMed ID: 22823989
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Bioactive conformational biasing: a new method for focusing conformational ensembles on bioactive-like conformers.
    Musafia B; Senderowitz H
    J Chem Inf Model; 2009 Nov; 49(11):2469-80. PubMed ID: 19824683
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Tackling the conformational sampling of larger flexible compounds and macrocycles in pharmacology and drug discovery.
    Chen IJ; Foloppe N
    Bioorg Med Chem; 2013 Dec; 21(24):7898-920. PubMed ID: 24184215
    [TBL] [Abstract][Full Text] [Related]  

  • 4. 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]  

  • 5. Tackling the challenges posed by target flexibility in drug design.
    Beier C; Zacharias M
    Expert Opin Drug Discov; 2010 Apr; 5(4):347-59. PubMed ID: 22823087
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Toward Focusing Conformational Ensembles on Bioactive Conformations: A Molecular Mechanics/Quantum Mechanics Study.
    Avgy-David HH; Senderowitz H
    J Chem Inf Model; 2015 Oct; 55(10):2154-67. PubMed ID: 26406154
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Structural ensemble in computational drug screening.
    Fukunishi Y
    Expert Opin Drug Metab Toxicol; 2010 Jul; 6(7):835-49. PubMed ID: 20465522
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Pharmacophore-based virtual screening: a review of recent applications.
    Kim KH; Kim ND; Seong BL
    Expert Opin Drug Discov; 2010 Mar; 5(3):205-22. PubMed ID: 22823018
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Discovery of estrogen receptor modulators: a review of virtual screening and SAR efforts.
    Xu X; Yang W; Li Y; Wang Y
    Expert Opin Drug Discov; 2010 Jan; 5(1):21-31. PubMed ID: 22823969
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Computational systems approach for drug target discovery.
    Chandra N
    Expert Opin Drug Discov; 2009 Dec; 4(12):1221-36. PubMed ID: 23480463
    [TBL] [Abstract][Full Text] [Related]  

  • 11. High-content screening for the discovery of pharmacological compounds: advantages, challenges and potential benefits of recent technological developments.
    Soleilhac E; Nadon R; Lafanechere L
    Expert Opin Drug Discov; 2010 Feb; 5(2):135-44. PubMed ID: 22822913
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Conformational sampling for large-scale virtual screening: accuracy versus ensemble size.
    Griewel A; Kayser O; Schlosser J; Rarey M
    J Chem Inf Model; 2009 Oct; 49(10):2303-11. PubMed ID: 19788252
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Pharmacophore-based molecular docking to account for ligand flexibility.
    Joseph-McCarthy D; Thomas BE; Belmarsh M; Moustakas D; Alvarez JC
    Proteins; 2003 May; 51(2):172-88. PubMed ID: 12660987
    [TBL] [Abstract][Full Text] [Related]  

  • 14. [Development of antituberculous drugs: current status and future prospects].
    Tomioka H; Namba K
    Kekkaku; 2006 Dec; 81(12):753-74. PubMed ID: 17240921
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. In silico fragment-based drug design.
    Konteatis ZD
    Expert Opin Drug Discov; 2010 Nov; 5(11):1047-65. PubMed ID: 22827744
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Comparative analysis of protein-bound ligand conformations with respect to catalyst's conformational space subsampling algorithms.
    Kirchmair J; Laggner C; Wolber G; Langer T
    J Chem Inf Model; 2005; 45(2):422-30. PubMed ID: 15807508
    [TBL] [Abstract][Full Text] [Related]  

  • 18. High-throughput virtual screening for drug discovery in parallel.
    Toledo-Sherman LM; Chen D
    Curr Opin Drug Discov Devel; 2002 May; 5(3):414-21. PubMed ID: 12058617
    [TBL] [Abstract][Full Text] [Related]  

  • 19. How far can virtual screening take us in drug discovery?
    Kar S; Roy K
    Expert Opin Drug Discov; 2013 Mar; 8(3):245-61. PubMed ID: 23330660
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Platforms for the identification of GPCR targets, and of orthosteric and allosteric modulators.
    Franco R; Canela EI; Casado V; Ferre S
    Expert Opin Drug Discov; 2010 Apr; 5(4):391-403. PubMed ID: 22823089
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.