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Journal Abstract Search

277 related items for PubMed ID: 22432509

  • 1. Protein-ligand binding free energies from exhaustive docking.
    Purisima EO, Hogues H.
    J Phys Chem B; 2012 Jun 14; 116(23):6872-9. PubMed ID: 22432509
    [Abstract] [Full Text] [Related]

  • 2. Fragment-based computation of binding free energies by systematic sampling.
    Clark M, Meshkat S, Talbot GT, Carnevali P, Wiseman JS.
    J Chem Inf Model; 2009 Aug 14; 49(8):1901-13. PubMed ID: 19610599
    [Abstract] [Full Text] [Related]

  • 3. Modeling protein-small molecule interactions: structure and thermodynamics of noble gases binding in a cavity in mutant phage T4 lysozyme L99A.
    Mann G, Hermans J.
    J Mol Biol; 2000 Sep 29; 302(4):979-89. PubMed ID: 10993736
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  • 5. Exhaustive mutagenesis in silico: multicoordinate free energy calculations on proteins and peptides.
    Pitera JW, Kollman PA.
    Proteins; 2000 Nov 15; 41(3):385-97. PubMed ID: 11025549
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  • 7. Grand canonical free-energy calculations of protein-ligand binding.
    Clark M, Meshkat S, Wiseman JS.
    J Chem Inf Model; 2009 Apr 15; 49(4):934-43. PubMed ID: 19309088
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  • 8. Comparison of end-point continuum-solvation methods for the calculation of protein-ligand binding free energies.
    Genheden S, Ryde U.
    Proteins; 2012 May 15; 80(5):1326-42. PubMed ID: 22274991
    [Abstract] [Full Text] [Related]

  • 9. Testing a flexible-receptor docking algorithm in a model binding site.
    Wei BQ, Weaver LH, Ferrari AM, Matthews BW, Shoichet BK.
    J Mol Biol; 2004 Apr 09; 337(5):1161-82. PubMed ID: 15046985
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  • 12. 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. Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
    Quillin ML, Breyer WA, Griswold IJ, Matthews BW.
    J Mol Biol; 2000 Sep 29; 302(4):955-77. PubMed ID: 10993735
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  • 17. Studying excited states of proteins by NMR spectroscopy.
    Mulder FA, Mittermaier A, Hon B, Dahlquist FW, Kay LE.
    Nat Struct Biol; 2001 Nov 29; 8(11):932-5. PubMed ID: 11685237
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  • 18. Molecular anchors with large stability gaps ensure linear binding free energy relationships for hydrophobic substituents.
    Rejto PA, Verkhivker GM.
    Pac Symp Biocomput; 1998 Nov 29; ():362-73. PubMed ID: 9697196
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  • 19. The combined simulation approach of atomistic and continuum models for the thermodynamics of lysozyme crystals.
    Chang J, Lenhoff AM, Sandler SI.
    J Phys Chem B; 2005 Oct 20; 109(41):19507-15. PubMed ID: 16853520
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  • 20. FDS: flexible ligand and receptor docking with a continuum solvent model and soft-core energy function.
    Taylor RD, Jewsbury PJ, Essex JW.
    J Comput Chem; 2003 Oct 20; 24(13):1637-56. PubMed ID: 12926007
    [Abstract] [Full Text] [Related]

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