Molecular Insight from DFT Computations and Kinetic Measurements into the Steric Factors Influencing Peptide Bond Hydrolysis Catalyzed by a Dimeric Zr(IV)-Substituted Keggin Type Polyoxometalate
Mihaylov, Tzvetan T, Ly, Hong Giang T, Pierloot, Kristine, Parac-Vogt, Tatjana N
Published in Inorganic chemistry (19.09.2016)
Published in Inorganic chemistry (19.09.2016)
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Chemical Mimics of Aspartate‐Directed Proteases: Predictive and Strictly Specific Hydrolysis of a Globular Protein at Asp−X Sequence Promoted by Polyoxometalate Complexes Rationalized by a Combined Experimental and Theoretical Approach
Ly, Hong Giang T., Mihaylov, Tzvetan T., Proost, Paul, Pierloot, Kristine, Harvey, Jeremy N., Parac‐Vogt, Tatjana N.
Published in Chemistry : a European journal (13.11.2019)
Published in Chemistry : a European journal (13.11.2019)
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Phosphate Ester Bond Hydrolysis Promoted by Lanthanide-Substituted Keggin-type Polyoxometalates Studied by a Combined Experimental and Density Functional Theory Approach
Luong, Thi Kim Nga, Mihaylov, Tzvetan T, Absillis, Gregory, Shestakova, Pavletta, Pierloot, Kristine, Parac-Vogt, Tatjana N
Published in Inorganic chemistry (03.10.2016)
Published in Inorganic chemistry (03.10.2016)
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Carbon-supported iron complexes as electrocatalysts for the cogeneration of hydroxylamine and electricity in a NO-H2 fuel cell: A combined electrochemical and density functional theory study
Sheng, Xia, Alvarez-Gallego, Yolanda, Dominguez-Benetton, Xochitl, Baert, Kitty, Hubin, Annick, Zhao, Hailiang, Mihaylov, Tzvetan T., Pierloot, Kristine, Vankelecom, Ivo F.J., Pescarmona, Paolo P.
Published in Journal of power sources (30.06.2018)
Published in Journal of power sources (30.06.2018)
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Multinuclear Diffusion NMR Spectroscopy and DFT Modeling: A Powerful Combination for Unraveling the Mechanism of Phosphoester Bond Hydrolysis Catalyzed by Metal-Substituted Polyoxometalates
Luong, Thi Kim Nga, Shestakova , Pavletta, Mihaylov, Tzvetan T., Absillis, Gregory, Pierloot, Kristine, Parac-Vogt, Tatjana N.
Published in Chemistry : a European journal (09.03.2015)
Published in Chemistry : a European journal (09.03.2015)
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A computational study of the glycylserine hydrolysis at physiological pH: a zwitterionic versus anionic mechanismElectronic supplementary information (ESI) available: Additional Fig. S1 and S2. Optimized molecular structures of the most relevant species in Cartesian coordinates. See DOI: 10.1039/c3ob42372g
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