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.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

212 related articles for article (PubMed ID: 20156458)

  • 1. Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.
    Baum B; Muley L; Smolinski M; Heine A; Hangauer D; Klebe G
    J Mol Biol; 2010 Apr; 397(4):1042-54. PubMed ID: 20156458
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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; 313(3):593-614. PubMed ID: 11676542
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.
    Baum B; Muley L; Heine A; Smolinski M; Hangauer D; Klebe G
    J Mol Biol; 2009 Aug; 391(3):552-64. PubMed ID: 19520086
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Energetic and entropic factors determining binding affinity in protein-ligand complexes.
    Klebe G; Böhm HJ
    J Recept Signal Transduct Res; 1997; 17(1-3):459-73. PubMed ID: 9029508
    [TBL] [Abstract][Full Text] [Related]  

  • 5. More than a simple lipophilic contact: a detailed thermodynamic analysis of nonbasic residues in the s1 pocket of thrombin.
    Baum B; Mohamed M; Zayed M; Gerlach C; Heine A; Hangauer D; Klebe G
    J Mol Biol; 2009 Jul; 390(1):56-69. PubMed ID: 19409395
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Water makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand binding.
    Biela A; Betz M; Heine A; Klebe G
    ChemMedChem; 2012 Aug; 7(8):1423-34. PubMed ID: 22733601
    [TBL] [Abstract][Full Text] [Related]  

  • 7. The thermodynamics of protein-ligand interaction and solvation: insights for ligand design.
    Olsson TS; Williams MA; Pitt WR; Ladbury JE
    J Mol Biol; 2008 Dec; 384(4):1002-17. PubMed ID: 18930735
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Van der Waals interactions dominate ligand-protein association in a protein binding site occluded from solvent water.
    Barratt E; Bingham RJ; Warner DJ; Laughton CA; Phillips SE; Homans SW
    J Am Chem Soc; 2005 Aug; 127(33):11827-34. PubMed ID: 16104761
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.
    Muley L; Baum B; Smolinski M; Freindorf M; Heine A; Klebe G; Hangauer DG
    J Med Chem; 2010 Mar; 53(5):2126-35. PubMed ID: 20148533
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Crystal structure analysis and in silico pKa calculations suggest strong pKa shifts of ligands as driving force for high-affinity binding to TGT.
    Ritschel T; Hoertner S; Heine A; Diederich F; Klebe G
    Chembiochem; 2009 Mar; 10(4):716-27. PubMed ID: 19199329
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Thermodynamics of binding of 2-methoxy-3-isopropylpyrazine and 2-methoxy-3-isobutylpyrazine to the major urinary protein.
    Bingham RJ; Findlay JB; Hsieh SY; Kalverda AP; Kjellberg A; Perazzolo C; Phillips SE; Seshadri K; Trinh CH; Turnbull WB; Bodenhausen G; Homans SW
    J Am Chem Soc; 2004 Feb; 126(6):1675-81. PubMed ID: 14871097
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution.
    Steuber H; Heine A; Klebe G
    J Mol Biol; 2007 May; 368(3):618-38. PubMed ID: 17368668
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Hydrogen bonding and solvent structure in an antigen-antibody interface. Crystal structures and thermodynamic characterization of three Fv mutants complexed with lysozyme.
    Fields BA; Goldbaum FA; Dall'Acqua W; Malchiodi EL; Cauerhff A; Schwarz FP; Ysern X; Poljak RJ; Mariuzza RA
    Biochemistry; 1996 Dec; 35(48):15494-503. PubMed ID: 8952503
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Thermodynamic and structural effects of conformational constraints in protein-ligand interactions. Entropic paradoxy associated with ligand preorganization.
    DeLorbe JE; Clements JH; Teresk MG; Benfield AP; Plake HR; Millspaugh LE; Martin SF
    J Am Chem Soc; 2009 Nov; 131(46):16758-70. PubMed ID: 19886660
    [TBL] [Abstract][Full Text] [Related]  

  • 15. PDBcal: a comprehensive dataset for receptor-ligand interactions with three-dimensional structures and binding thermodynamics from isothermal titration calorimetry.
    Li L; Dantzer JJ; Nowacki J; O'Callaghan BJ; Meroueh SO
    Chem Biol Drug Des; 2008 Jun; 71(6):529-32. PubMed ID: 18482338
    [TBL] [Abstract][Full Text] [Related]  

  • 16. An example of a protein ligand found by database mining: description of the docking method and its verification by a 2.3 A X-ray structure of a thrombin-ligand complex.
    Burkhard P; Taylor P; Walkinshaw MD
    J Mol Biol; 1998 Mar; 277(2):449-66. PubMed ID: 9514757
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Structure-based understanding of ligand affinity using human thrombin as a model system.
    Nienaber VL; Mersinger LJ; Kettner CA
    Biochemistry; 1996 Jul; 35(30):9690-9. PubMed ID: 8703940
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Additivity and the physical basis of multivalency effects: a thermodynamic investigation of the calcium EDTA interaction.
    Christensen T; Gooden DM; Kung JE; Toone EJ
    J Am Chem Soc; 2003 Jun; 125(24):7357-66. PubMed ID: 12797810
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties.
    Brandt T; Holzmann N; Muley L; Khayat M; Wegscheid-Gerlach C; Baum B; Heine A; Hangauer D; Klebe G
    J Mol Biol; 2011 Feb; 405(5):1170-87. PubMed ID: 21111747
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Boosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures.
    Rühmann EH; Rupp M; Betz M; Heine A; Klebe G
    ChemMedChem; 2016 Feb; 11(3):309-19. PubMed ID: 26762840
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.