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Key difference between transition state stabilization and ground state destabilization: increasing atomic charge densities before or during enzyme–substrate binding
Chen, Deliang, Li, Yibao, Li, Xun, Hong, Xuechuan, Fan, Xiaolin, Savidge, Tor
Published in Chemical science (Cambridge) (13.07.2022)
Published in Chemical science (Cambridge) (13.07.2022)
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Apparent NAC Effect in Chorismate Mutase Reflects Electrostatic Transition State Stabilization
Štrajbl, Marek, Shurki, Avital, Kato, Mitsunori, Warshel, Arieh
Published in Journal of the American Chemical Society (27.08.2003)
Published in Journal of the American Chemical Society (27.08.2003)
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Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase
Mhashal, Anil R, Romero-Rivera, Adrian, Mydy, Lisa S, Cristobal, Judith R, Gulick, Andrew M, Richard, John P, Kamerlin, Shina C. L
Published in ACS catalysis (02.10.2020)
Published in ACS catalysis (02.10.2020)
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Key difference between transition state stabilization and ground state destabilization: increasing atomic charge densities before or during enzymesubstrate binding
Chen, Deliang, Li, Yibao, Li, Xun, Hong, Xuechuan, Fan, Xiaolin, Savidge, Tor
Published in Chemical science (Cambridge) (13.07.2022)
Published in Chemical science (Cambridge) (13.07.2022)
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Insights into transition state stabilization of the β-1,4-glycosidase Cex by covalent intermediate accumulation in active site mutants
Notenboom, Valerie, Birsan, Camelia, Nitz, Mark, Rose, David R., Warren, R. Antony J., Withers, Stephen G.
Published in Nature Structural Biology (01.09.1998)
Published in Nature Structural Biology (01.09.1998)
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Molecular Dynamics Explorations of Active Site Structure in Designed and Evolved Enzymes
Osuna, Sílvia, Jiménez-Osés, Gonzalo, Noey, Elizabeth L, Houk, K. N
Published in Accounts of chemical research (21.04.2015)
Published in Accounts of chemical research (21.04.2015)
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Supramolecular catalysis. Part 2: artificial enzyme mimics
Raynal, Matthieu, Ballester, Pablo, Vidal-Ferran, Anton, van Leeuwen, Piet W. N. M
Published in Chemical Society reviews (07.03.2014)
Published in Chemical Society reviews (07.03.2014)
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Accurate Computation of Thermodynamic Activation Parameters in the Chorismate Mutase Reaction from Empirical Valence Bond Simulations
Wilkins, Ryan Scott, Lund, Bjarte Aarmo, Isaksen, Geir Villy, Åqvist, Johan, Brandsdal, Bjørn Olav
Published in Journal of chemical theory and computation (09.01.2024)
Published in Journal of chemical theory and computation (09.01.2024)
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Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-β-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactions
Dyguda-Kazimierowicz, Edyta, Sokalski, W. Andrzej, Leszczyński, Jerzy
Published in Journal of molecular modeling (01.07.2007)
Published in Journal of molecular modeling (01.07.2007)
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Studies on the mechanism of aromatase and other cytochrome P450 mediated deformylation reactions
Korzekwa, Kenneth R., Trager, William F., Mancewicz, Julie, Osawa, Yoichi
Published in The Journal of steroid biochemistry and molecular biology (01.03.1993)
Published in The Journal of steroid biochemistry and molecular biology (01.03.1993)
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Theoretical studies on the mechanism of conversion of androgens to estrogens by aromatase
Korzekwa, Kenneth R, Trager, William F, Smith, Soozy J, Osawa, Yoichi, Gillette, James R
Published in Biochemistry (Easton) (25.06.1991)
Published in Biochemistry (Easton) (25.06.1991)
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