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Journal Abstract Search

225 related items for PubMed ID: 23210919

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  • 4. Decomposition of vibrational shifts of nitriles into electrostatic and hydrogen-bonding effects.
    Fafarman AT, Sigala PA, Herschlag D, Boxer SG.
    J Am Chem Soc; 2010 Sep 22; 132(37):12811-3. PubMed ID: 20806897
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  • 7. An Ab Initio QM/MM Study of the Electrostatic Contribution to Catalysis in the Active Site of Ketosteroid Isomerase.
    Wang X, He X.
    Molecules; 2018 Sep 20; 23(10):. PubMed ID: 30241317
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  • 10. Testing geometrical discrimination within an enzyme active site: constrained hydrogen bonding in the ketosteroid isomerase oxyanion hole.
    Sigala PA, Kraut DA, Caaveiro JM, Pybus B, Ruben EA, Ringe D, Petsko GA, Herschlag D.
    J Am Chem Soc; 2008 Oct 15; 130(41):13696-708. PubMed ID: 18808119
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  • 13. QM/MM modelling of ketosteroid isomerase reactivity indicates that active site closure is integral to catalysis.
    van der Kamp MW, Chaudret R, Mulholland AJ.
    FEBS J; 2013 Jul 15; 280(13):3120-31. PubMed ID: 23356661
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  • 14. Vibrational Stark Effects of Carbonyl Probes Applied to Reinterpret IR and Raman Data for Enzyme Inhibitors in Terms of Electric Fields at the Active Site.
    Schneider SH, Boxer SG.
    J Phys Chem B; 2016 Sep 15; 120(36):9672-84. PubMed ID: 27541577
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  • 16. Hybrid quantum/classical molecular dynamics simulations of the proton transfer reactions catalyzed by ketosteroid isomerase: analysis of hydrogen bonding, conformational motions, and electrostatics.
    Chakravorty DK, Soudackov AV, Hammes-Schiffer S.
    Biochemistry; 2009 Nov 10; 48(44):10608-19. PubMed ID: 19799395
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  • 20. Molecular dynamics and quantum chemical studies on the catalytic mechanism of Delta5-3-ketosteroid isomerase: the catalytic diad versus the cooperative hydrogen bond mechanism.
    Park H, Merz KM.
    J Am Chem Soc; 2003 Jan 29; 125(4):901-11. PubMed ID: 12537487
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