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398 related items for PubMed ID: 25060837

  • 1. Atomistic insight into the catalytic mechanism of glycosyltransferases by combined quantum mechanics/molecular mechanics (QM/MM) methods.
    Tvaroška I.
    Carbohydr Res; 2015 Feb 11; 403():38-47. PubMed ID: 25060837
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  • 4. Formation of a covalent glycosyl-enzyme species in a retaining glycosyltransferase.
    Rojas-Cervellera V, Ardèvol A, Boero M, Planas A, Rovira C.
    Chemistry; 2013 Oct 11; 19(42):14018-23. PubMed ID: 24108590
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  • 6. QM/MM Studies Reveal How Substrate-Substrate and Enzyme-Substrate Interactions Modulate Retaining Glycosyltransferases Catalysis and Mechanism.
    Gómez H, Mendoza F, Lluch JM, Masgrau L.
    Adv Protein Chem Struct Biol; 2015 Oct 11; 100():225-54. PubMed ID: 26415846
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  • 7. The reaction mechanism of retaining glycosyltransferases.
    Ardèvol A, Iglesias-Fernández J, Rojas-Cervellera V, Rovira C.
    Biochem Soc Trans; 2016 Feb 11; 44(1):51-60. PubMed ID: 26862188
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  • 9. Hybrid schemes based on quantum mechanics/molecular mechanics simulations goals to success, problems, and perspectives.
    Ferrer S, Ruiz-Pernía J, Martí S, Moliner V, Tuñón I, Bertrán J, Andrés J.
    Adv Protein Chem Struct Biol; 2011 Feb 11; 85():81-142. PubMed ID: 21920322
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  • 10. Combined quantum mechanics/molecular mechanics (QM/MM) methods in computational enzymology.
    van der Kamp MW, Mulholland AJ.
    Biochemistry; 2013 Apr 23; 52(16):2708-28. PubMed ID: 23557014
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  • 11. Hybrid quantum mechanical/molecular mechanical investigation of the beta-1,4-galactosyltransferase-I mechanism.
    Krupicka M, Tvaroska I.
    J Phys Chem B; 2009 Aug 13; 113(32):11314-9. PubMed ID: 19627105
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  • 12. Geometric attributes of retaining glycosyltransferase enzymes favor an orthogonal mechanism.
    Schuman B, Evans SV, Fyles TM.
    PLoS One; 2013 Aug 13; 8(8):e71077. PubMed ID: 23936487
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  • 13. Quick-soaking of crystals reveals unprecedented insights into the catalytic mechanism of glycosyltransferases.
    Albesa-Jové D, Cifuente JO, Trastoy B, Guerin ME.
    Methods Enzymol; 2019 Aug 13; 621():261-279. PubMed ID: 31128783
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  • 14. QM/MM methods for biomolecular systems.
    Senn HM, Thiel W.
    Angew Chem Int Ed Engl; 2009 Aug 13; 48(7):1198-229. PubMed ID: 19173328
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  • 17. Reaction Mechanisms in Carbohydrate-Active Enzymes: Glycoside Hydrolases and Glycosyltransferases. Insights from ab Initio Quantum Mechanics/Molecular Mechanics Dynamic Simulations.
    Ardèvol A, Rovira C.
    J Am Chem Soc; 2015 Jun 24; 137(24):7528-47. PubMed ID: 25970019
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  • 18. Structural Snapshots of α-1,3-Galactosyltransferase with Native Substrates: Insight into the Catalytic Mechanism of Retaining Glycosyltransferases.
    Albesa-Jové D, Sainz-Polo MÁ, Marina A, Guerin ME.
    Angew Chem Int Ed Engl; 2017 Nov 20; 56(47):14853-14857. PubMed ID: 28960760
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  • 20. Substrate-assisted catalytic mechanism of O-GlcNAc transferase discovered by quantum mechanics/molecular mechanics investigation.
    Tvaroška I, Kozmon S, Wimmerová M, Koča J.
    J Am Chem Soc; 2012 Sep 19; 134(37):15563-71. PubMed ID: 22928765
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