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PUBMED FOR HANDHELDS

Journal Abstract Search


210 related items for PubMed ID: 16490206

  • 1. Probing molecular docking in a charged model binding site.
    Brenk R, Vetter SW, Boyce SE, Goodin DB, Shoichet BK.
    J Mol Biol; 2006 Apr 14; 357(5):1449-70. PubMed ID: 16490206
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  • 2. Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
    Graves AP, Shivakumar DM, Boyce SE, Jacobson MP, Case DA, Shoichet BK.
    J Mol Biol; 2008 Mar 28; 377(3):914-34. PubMed ID: 18280498
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  • 3. Roles for ordered and bulk solvent in ligand recognition and docking in two related cavities.
    Barelier S, Boyce SE, Fish I, Fischer M, Goodin DB, Shoichet BK.
    PLoS One; 2013 Mar 28; 8(7):e69153. PubMed ID: 23874896
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  • 4. Artificial protein cavities as specific ligand-binding templates: characterization of an engineered heterocyclic cation-binding site that preserves the evolved specificity of the parent protein.
    Musah RA, Jensen GM, Bunte SW, Rosenfeld RJ, Goodin DB.
    J Mol Biol; 2002 Jan 25; 315(4):845-57. PubMed ID: 11812152
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  • 5. A model binding site for testing scoring functions in molecular docking.
    Wei BQ, Baase WA, Weaver LH, Matthews BW, Shoichet BK.
    J Mol Biol; 2002 Sep 13; 322(2):339-55. PubMed ID: 12217695
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  • 13. Testing inhomogeneous solvation theory in structure-based ligand discovery.
    Balius TE, Fischer M, Stein RM, Adler TB, Nguyen CN, Cruz A, Gilson MK, Kurtzman T, Shoichet BK.
    Proc Natl Acad Sci U S A; 2017 Aug 15; 114(33):E6839-E6846. PubMed ID: 28760952
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  • 14. Rapid context-dependent ligand desolvation in molecular docking.
    Mysinger MM, Shoichet BK.
    J Chem Inf Model; 2010 Sep 27; 50(9):1561-73. PubMed ID: 20735049
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  • 17. The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition.
    Merski M, Shoichet BK.
    J Med Chem; 2013 Apr 11; 56(7):2874-84. PubMed ID: 23473072
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  • 19. Replacement of the axial histidine ligand with imidazole in cytochrome c peroxidase. 1. Effects on structure.
    Hirst J, Wilcox SK, Williams PA, Blankenship J, McRee DE, Goodin DB.
    Biochemistry; 2001 Feb 06; 40(5):1265-73. PubMed ID: 11170452
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  • 20. Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymes.
    McGovern SL, Shoichet BK.
    J Med Chem; 2003 Jul 03; 46(14):2895-907. PubMed ID: 12825931
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