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Journal Abstract Search

172 related items for PubMed ID: 17932920

  • 1.
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  • 2. Very fast prediction and rationalization of pKa values for protein-ligand complexes.
    Bas DC, Rogers DM, Jensen JH.
    Proteins; 2008 Nov 15; 73(3):765-83. PubMed ID: 18498103
    [Abstract] [Full Text] [Related]

  • 3. Multiple protonation equilibria in electrostatics of protein-protein binding.
    Piłat Z, Antosiewicz JM.
    J Phys Chem B; 2008 Nov 27; 112(47):15074-85. PubMed ID: 18950218
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  • 4. pH-dependent pKa values in proteins--a theoretical analysis of protonation energies with practical consequences for enzymatic reactions.
    Bombarda E, Ullmann GM.
    J Phys Chem B; 2010 Feb 11; 114(5):1994-2003. PubMed ID: 20088566
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  • 5. Acid-base equilibria in rhodopsin: dependence of the protonation state of glu134 on its environment.
    Periole X, Ceruso MA, Mehler EL.
    Biochemistry; 2004 Jun 08; 43(22):6858-64. PubMed ID: 15170322
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  • 7. The determination of protonation states in proteins.
    Ahmed HU, Blakeley MP, Cianci M, Cruickshank DW, Hubbard JA, Helliwell JR.
    Acta Crystallogr D Biol Crystallogr; 2007 Aug 08; 63(Pt 8):906-22. PubMed ID: 17642517
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  • 8. Protonation state of Asp30 exerts crucial influence over surface loop rearrangements responsible for NO release in nitrophorin 4.
    Menyhárd DK, Keserü GM.
    FEBS Lett; 2005 Oct 10; 579(24):5392-8. PubMed ID: 16198351
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  • 9. Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pK(a) calculations and ITC experiments.
    Czodrowski P, Sotriffer CA, Klebe G.
    J Mol Biol; 2007 Apr 13; 367(5):1347-56. PubMed ID: 17316681
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  • 10. Challenges in pKa predictions for proteins: the case of Asp213 in human proteinase 3.
    Hajjar E, Dejaegere A, Reuter N.
    J Phys Chem A; 2009 Oct 29; 113(43):11783-92. PubMed ID: 19780520
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  • 12. Protonation free energy levels in complex molecular systems.
    Antosiewicz JM.
    Biopolymers; 2008 Apr 29; 89(4):262-9. PubMed ID: 17806123
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  • 15. Estimating binding affinities by docking/scoring methods using variable protonation states.
    Park MS, Gao C, Stern HA.
    Proteins; 2011 Jan 29; 79(1):304-14. PubMed ID: 21058298
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  • 17. Free energy of proton binding in proteins.
    Poland D.
    Biopolymers; 2003 May 29; 69(1):60-71. PubMed ID: 12717722
    [Abstract] [Full Text] [Related]

  • 18. Prediction and rationalization of the pH dependence of the activity and stability of family 11 xylanases.
    Kongsted J, Ryde U, Wydra J, Jensen JH.
    Biochemistry; 2007 Nov 27; 46(47):13581-92. PubMed ID: 17960918
    [Abstract] [Full Text] [Related]

  • 19. Protein-protein interactions: hot spots and structurally conserved residues often locate in complemented pockets that pre-organized in the unbound states: implications for docking.
    Li X, Keskin O, Ma B, Nussinov R, Liang J.
    J Mol Biol; 2004 Nov 26; 344(3):781-95. PubMed ID: 15533445
    [Abstract] [Full Text] [Related]

  • 20. Histidine protonation and the activation of viral fusion proteins.
    Mueller DS, Kampmann T, Yennamalli R, Young PR, Kobe B, Mark AE.
    Biochem Soc Trans; 2008 Feb 26; 36(Pt 1):43-5. PubMed ID: 18208382
    [Abstract] [Full Text] [Related]

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