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Journal Abstract Search

277 related items for PubMed ID: 12820253

  • 1. Application and limitations of X-ray crystallographic data in structure-based ligand and drug design.
    Davis AM, Teague SJ, Kleywegt GJ.
    Angew Chem Int Ed Engl; 2003 Jun 23; 42(24):2718-36. PubMed ID: 12820253
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  • 6. Supervised scoring models with docked ligand conformations for structure-based virtual screening.
    Teramoto R, Fukunishi H.
    J Chem Inf Model; 2007 Jun 23; 47(5):1858-67. PubMed ID: 17685604
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  • 9. 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 01; 47(1):56-71. PubMed ID: 14695820
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  • 10. Structural interaction fingerprint (SIFt): a novel method for analyzing three-dimensional protein-ligand binding interactions.
    Deng Z, Chuaqui C, Singh J.
    J Med Chem; 2004 Jan 15; 47(2):337-44. PubMed ID: 14711306
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  • 11. Fragment-based drug discovery applied to Hsp90. Discovery of two lead series with high ligand efficiency.
    Murray CW, Carr MG, Callaghan O, Chessari G, Congreve M, Cowan S, Coyle JE, Downham R, Figueroa E, Frederickson M, Graham B, McMenamin R, O'Brien MA, Patel S, Phillips TR, Williams G, Woodhead AJ, Woolford AJ.
    J Med Chem; 2010 Aug 26; 53(16):5942-55. PubMed ID: 20718493
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  • 12. Structural requirements for factor Xa inhibition by 3-oxybenzamides with neutral P1 substituents: combining X-ray crystallography, 3D-QSAR, and tailored scoring functions.
    Matter H, Will DW, Nazaré M, Schreuder H, Laux V, Wehner V.
    J Med Chem; 2005 May 05; 48(9):3290-312. PubMed ID: 15857135
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  • 13. Structure-based approaches to drug design and virtual screening.
    Waszkowycz B.
    Curr Opin Drug Discov Devel; 2002 May 05; 5(3):407-13. PubMed ID: 12058616
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  • 15. Characterization of protein-ligand interaction sites using experimental and computational methods.
    Vajda S, Guarnieri F.
    Curr Opin Drug Discov Devel; 2006 May 05; 9(3):354-62. PubMed ID: 16729732
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  • 16. Prediction of binding modes for ligands in the cytochromes P450 and other heme-containing proteins.
    Kirton SB, Murray CW, Verdonk ML, Taylor RD.
    Proteins; 2005 Mar 01; 58(4):836-44. PubMed ID: 15651036
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  • 17. LigEvolutioner, a new strategy for modification and optimization of lead compounds in receptor/ligand complexes.
    Zhou P, Tian F, Shang Z.
    Chem Biol Drug Des; 2008 Dec 01; 72(6):525-32. PubMed ID: 19090919
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  • 20. EADock: docking of small molecules into protein active sites with a multiobjective evolutionary optimization.
    Grosdidier A, Zoete V, Michielin O.
    Proteins; 2007 Jun 01; 67(4):1010-25. PubMed ID: 17380512
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