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454 related items for PubMed ID: 18446284

  • 1. Calculation of absolute protein-ligand binding constants with the molecular dynamics free energy perturbation method.
    Woo HJ.
    Methods Mol Biol; 2008; 443():109-20. PubMed ID: 18446284
    [Abstract] [Full Text] [Related]

  • 2. Backbone dynamics of the C-terminal SH2 domain of the p85alpha subunit of phosphoinositide 3-kinase: effect of phosphotyrosine-peptide binding and characterization of slow conformational exchange processes.
    Kristensen SM, Siegal G, Sankar A, Driscoll PC.
    J Mol Biol; 2000 Jun 09; 299(3):771-88. PubMed ID: 10835283
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  • 3. Prediction of solvation sites at the interface of Src SH2 domain complexes using molecular dynamics simulations.
    Geroult S, Hooda M, Virdee S, Waksman G.
    Chem Biol Drug Des; 2007 Aug 09; 70(2):87-99. PubMed ID: 17683370
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  • 4. The role of water in computational and experimental derivation of binding thermodynamics in SH2 domains.
    Geroult S, Virdee S, Waksman G.
    Chem Biol Drug Des; 2006 Jan 09; 67(1):38-45. PubMed ID: 16492147
    [Abstract] [Full Text] [Related]

  • 5. Surface plasmon resonance thermodynamic and kinetic analysis as a strategic tool in drug design. Distinct ways for phosphopeptides to plug into Src- and Grb2 SH2 domains.
    de Mol NJ, Dekker FJ, Broutin I, Fischer MJ, Liskamp RM.
    J Med Chem; 2005 Feb 10; 48(3):753-63. PubMed ID: 15689159
    [Abstract] [Full Text] [Related]

  • 6. Linear interaction energy: method and applications in drug design.
    Gutiérrez-de-Terán H, Aqvist J.
    Methods Mol Biol; 2012 Feb 10; 819():305-23. PubMed ID: 22183545
    [Abstract] [Full Text] [Related]

  • 7. Free energy calculations applied to membrane proteins.
    Chipot C.
    Methods Mol Biol; 2008 Feb 10; 443():121-44. PubMed ID: 18446285
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  • 10. Insights from the energetics of water binding at the domain-ligand interface of the Src SH2 domain.
    De Fabritiis G, Geroult S, Coveney PV, Waksman G.
    Proteins; 2008 Sep 10; 72(4):1290-7. PubMed ID: 18384045
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  • 12. Inhibitors to the Src SH2 domain: a lesson in structure--thermodynamic correlation in drug design.
    Henriques DA, Ladbury JE.
    Arch Biochem Biophys; 2001 Jun 15; 390(2):158-68. PubMed ID: 11396918
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  • 13. Identification of novel fragment compounds targeted against the pY pocket of v-Src SH2 by computational and NMR screening and thermodynamic evaluation.
    Taylor JD, Gilbert PJ, Williams MA, Pitt WR, Ladbury JE.
    Proteins; 2007 Jun 01; 67(4):981-90. PubMed ID: 17393456
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  • 15. Protein-ligand binding free energy calculation by the Smooth Reaction Path Generation (SRPG) Method.
    Fukunishi Y, Mitomo D, Nakamura H.
    J Chem Inf Model; 2009 Aug 01; 49(8):1944-51. PubMed ID: 19807195
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  • 16. (Thermo)dynamic role of receptor flexibility, entropy, and motional correlation in protein-ligand binding.
    Baron R, McCammon JA.
    Chemphyschem; 2008 May 16; 9(7):983-8. PubMed ID: 18418822
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