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 *

159 related articles for article (PubMed ID: 21143810)

  • 1. TSCC: Two-Stage Combinatorial Clustering for virtual screening using protein-ligand interactions and physicochemical features.
    Clinciu DL; Chen YF; Ko CN; Lo CC; Yang JM
    BMC Genomics; 2010 Dec; 11 Suppl 4(Suppl 4):S26. PubMed ID: 21143810
    [TBL] [Abstract][Full Text] [Related]  

  • 2. HierVLS hierarchical docking protocol for virtual ligand screening of large-molecule databases.
    Floriano WB; Vaidehi N; Zamanakos G; Goddard WA
    J Med Chem; 2004 Jan; 47(1):56-71. PubMed ID: 14695820
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Virtual compound screening in drug discovery.
    Stumpfe D; Ripphausen P; Bajorath J
    Future Med Chem; 2012 Apr; 4(5):593-602. PubMed ID: 22458679
    [TBL] [Abstract][Full Text] [Related]  

  • 4. A hierarchical clustering approach for large compound libraries.
    Böcker A; Derksen S; Schmidt E; Teckentrup A; Schneider G
    J Chem Inf Model; 2005; 45(4):807-15. PubMed ID: 16045274
    [TBL] [Abstract][Full Text] [Related]  

  • 5. A pseudo-ligand approach to virtual screening.
    Schüller A; Fechner U; Renner S; Franke L; Weber L; Schneider G
    Comb Chem High Throughput Screen; 2006 Jun; 9(5):359-64. PubMed ID: 16787149
    [TBL] [Abstract][Full Text] [Related]  

  • 6. On-bead screens sample narrower affinity ranges of protein-ligand interactions compared to equivalent solution assays.
    Hintersteiner M; Buehler C; Auer M
    Chemphyschem; 2012 Oct; 13(15):3472-80. PubMed ID: 22829563
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone.
    Khan T; Ahmad R; Azad I; Raza S; Joshi S; Khan AR
    Comput Biol Chem; 2018 Aug; 75():178-195. PubMed ID: 29883916
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Stalis: A Computational Method for Template-Based Ab Initio Ligand Design.
    Lee HS; Im W
    J Comput Chem; 2019 Jun; 40(17):1622-1632. PubMed ID: 30829435
    [TBL] [Abstract][Full Text] [Related]  

  • 9. NIPALSTREE: a new hierarchical clustering approach for large compound libraries and its application to virtual screening.
    Böcker A; Schneider G; Teckentrup A
    J Chem Inf Model; 2006; 46(6):2220-9. PubMed ID: 17125166
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries.
    Ma XH; Jia J; Zhu F; Xue Y; Li ZR; Chen YZ
    Comb Chem High Throughput Screen; 2009 May; 12(4):344-57. PubMed ID: 19442064
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Minimizing false positives in kinase virtual screens.
    Perola E
    Proteins; 2006 Aug; 64(2):422-35. PubMed ID: 16708364
    [TBL] [Abstract][Full Text] [Related]  

  • 12. TrixX: structure-based molecule indexing for large-scale virtual screening in sublinear time.
    Schellhammer I; Rarey M
    J Comput Aided Mol Des; 2007 May; 21(5):223-38. PubMed ID: 17294247
    [TBL] [Abstract][Full Text] [Related]  

  • 13. The future of virtual compound screening.
    Heikamp K; Bajorath J
    Chem Biol Drug Des; 2013 Jan; 81(1):33-40. PubMed ID: 23253129
    [TBL] [Abstract][Full Text] [Related]  

  • 14. The use of protein-ligand interaction fingerprints in docking.
    Brewerton SC
    Curr Opin Drug Discov Devel; 2008 May; 11(3):356-64. PubMed ID: 18428089
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.
    Zavodszky MI; Sanschagrin PC; Korde RS; Kuhn LA
    J Comput Aided Mol Des; 2002 Dec; 16(12):883-902. PubMed ID: 12825621
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Pharmacophore identification, in silico screening, and virtual library design for inhibitors of the human factor Xa.
    Krovat EM; Frühwirth KH; Langer T
    J Chem Inf Model; 2005; 45(1):146-59. PubMed ID: 15667140
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Analysis of structure-based virtual screening studies and characterization of identified active compounds.
    Ripphausen P; Stumpfe D; Bajorath J
    Future Med Chem; 2012 Apr; 4(5):603-13. PubMed ID: 22458680
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Efficient method for high-throughput virtual screening based on flexible docking: discovery of novel acetylcholinesterase inhibitors.
    Mizutani MY; Itai A
    J Med Chem; 2004 Sep; 47(20):4818-28. PubMed ID: 15369385
    [TBL] [Abstract][Full Text] [Related]  

  • 19. A novel identification approach for discovery of 5-HydroxyTriptamine 2A antagonists: combination of 2D/3D similarity screening, molecular docking and molecular dynamics.
    Kumar R; Jade D; Gupta D
    J Biomol Struct Dyn; 2019 Mar; 37(4):931-943. PubMed ID: 29468945
    [TBL] [Abstract][Full Text] [Related]  

  • 20. VISCANA: visualized cluster analysis of protein-ligand interaction based on the ab initio fragment molecular orbital method for virtual ligand screening.
    Amari S; Aizawa M; Zhang J; Fukuzawa K; Mochizuki Y; Iwasawa Y; Nakata K; Chuman H; Nakano T
    J Chem Inf Model; 2006; 46(1):221-30. PubMed ID: 16426058
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.