These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

611 related items for PubMed ID: 18498103

  • 1. 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]

  • 2. 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
    [Abstract] [Full Text] [Related]

  • 3. Protein-protein binding is often associated with changes in protonation state.
    Mason AC, Jensen JH.
    Proteins; 2008 Apr 13; 71(1):81-91. PubMed ID: 17932920
    [Abstract] [Full Text] [Related]

  • 4. Dissection of the pH dependence of inhibitor binding energetics for an aspartic protease: direct measurement of the protonation states of the catalytic aspartic acid residues.
    Xie D, Gulnik S, Collins L, Gustchina E, Suvorov L, Erickson JW.
    Biochemistry; 1997 Dec 23; 36(51):16166-72. PubMed ID: 9405050
    [Abstract] [Full Text] [Related]

  • 5. Calculating proton uptake/release and binding free energy taking into account ionization and conformation changes induced by protein-inhibitor association: application to plasmepsin, cathepsin D and endothiapepsin-pepstatin complexes.
    Alexov E.
    Proteins; 2004 Aug 15; 56(3):572-84. PubMed ID: 15229889
    [Abstract] [Full Text] [Related]

  • 6. Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein-ligand complexes.
    Czodrowski P, Dramburg I, Sotriffer CA, Klebe G.
    Proteins; 2006 Nov 01; 65(2):424-37. PubMed ID: 16927370
    [Abstract] [Full Text] [Related]

  • 7. Predicting protein pK(a) by environment similarity.
    Milletti F, Storchi L, Cruciani G.
    Proteins; 2009 Aug 01; 76(2):484-95. PubMed ID: 19241472
    [Abstract] [Full Text] [Related]

  • 8. Getting it right: modeling of pH, solvent and "nearly" everything else in virtual screening of biological targets.
    Kellogg GE, Fornabaio M, Spyrakis F, Lodola A, Cozzini P, Mozzarelli A, Abraham DJ.
    J Mol Graph Model; 2004 Jul 01; 22(6):479-86. PubMed ID: 15182807
    [Abstract] [Full Text] [Related]

  • 9. Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition.
    Dullweber F, Stubbs MT, Musil D, Stürzebecher J, Klebe G.
    J Mol Biol; 2001 Oct 26; 313(3):593-614. PubMed ID: 11676542
    [Abstract] [Full Text] [Related]

  • 10.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 11. Assessing scoring functions for protein-ligand interactions.
    Ferrara P, Gohlke H, Price DJ, Klebe G, Brooks CL.
    J Med Chem; 2004 Jun 03; 47(12):3032-47. PubMed ID: 15163185
    [Abstract] [Full Text] [Related]

  • 12. Computational titration analysis of a multiprotic HIV-1 protease-ligand complex.
    Spyrakis F, Fornabaio M, Cozzini P, Mozzarelli A, Abraham DJ, Kellogg GE.
    J Am Chem Soc; 2004 Sep 29; 126(38):11764-5. PubMed ID: 15382890
    [Abstract] [Full Text] [Related]

  • 13. Methyltetrahydrofolate:corrinoid/iron-sulfur protein methyltransferase (MeTr): protonation state of the ligand and active-site residues.
    Alonso H, Cummins PL, Gready JE.
    J Phys Chem B; 2009 Nov 05; 113(44):14787-96. PubMed ID: 19827815
    [Abstract] [Full Text] [Related]

  • 14.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 15.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 16.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 17. Very fast empirical prediction and rationalization of protein pKa values.
    Li H, Robertson AD, Jensen JH.
    Proteins; 2005 Dec 01; 61(4):704-21. PubMed ID: 16231289
    [Abstract] [Full Text] [Related]

  • 18.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 19.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

  • 20.
    ; . PubMed ID:
    [No Abstract] [Full Text] [Related]

    Page: [Next] [New Search]
    of 31.