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• W2063013988 startingPage "1447" @default.
• W2063013988 abstract "The power of transition-state theory (TST) for understanding enzymes is evidenced by its recent use in the design and synthesis of highly active de novo enzymes. However, dynamics can influence reaction kinetics, and some studies of rate-promoting vibrations even claim that dynamical theories instead of TST are needed to understand enzymatic reaction mechanisms. For the rate-promoting vibration (RPV) model of enzyme catalysis [Antoniou et al., J. Chem. Phys. 2004, 121, 6442], a reactive flux correlation function analysis shows that dynamical effects do slow the kinetics. However, the RPV model also shows extremely long-lived correlations because the RPV and the bath are not directly coupled. Additionally, earlier studies of the RPV model show a narrow time scale separation due to a small 5kT barrier. Thus earlier findings based on the RPV model may have little bearing on the properties of real enzymes. The intrinsic reaction coordinate (IRC) reveals that the RPV is an important component of the reaction coordinate at early and late stages of the pathway, but the RPV is not an important component of the reaction coordinate direction at the transition state. The unstable eigenmode from harmonic TST (which coincides with the IRC at the saddle point) gives a larger transmission coefficient than the coordinate used in the correlation functions of Antoniou et al. Thus while TST cannot predict the transmission coefficient, the RPV model suggests that TST can provide mechanistic insights on elementary steps in enzyme catalysis. Finally, we propose a method for using the transition-state ensemble as predicted from harmonic TST to distinguish promoting vibrations from other more mundane bath variables." @default.
• W2063013988 created "2016-06-24" @default.
• W2063013988 creator A5003451698 @default.
• W2063013988 date "2010-04-09" @default.
• W2063013988 modified "2023-09-25" @default.
• W2063013988 title "Transition-State Theory, Dynamics, and Narrow Time Scale Separation in the Rate-Promoting Vibrations Model of Enzyme Catalysis" @default.
• W2063013988 cites W1970440715 @default.
• W2063013988 cites W1970662919 @default.
• W2063013988 cites W1972173032 @default.
• W2063013988 cites W1972607828 @default.
• W2063013988 cites W1977631073 @default.
• W2063013988 cites W1978115397 @default.
• W2063013988 cites W1982497888 @default.
• W2063013988 cites W1987696643 @default.
• W2063013988 cites W1989754664 @default.
• W2063013988 cites W1992173555 @default.
• W2063013988 cites W1993542065 @default.
• W2063013988 cites W1994148020 @default.
• W2063013988 cites W1994633233 @default.
• W2063013988 cites W1998725374 @default.
• W2063013988 cites W1999504668 @default.
• W2063013988 cites W2004303971 @default.
• W2063013988 cites W2006792549 @default.
• W2063013988 cites W2008609697 @default.
• W2063013988 cites W2011242225 @default.
• W2063013988 cites W2012663156 @default.
• W2063013988 cites W2018532993 @default.
• W2063013988 cites W2021361846 @default.
• W2063013988 cites W2021979852 @default.
• W2063013988 cites W2022231452 @default.
• W2063013988 cites W2024872256 @default.
• W2063013988 cites W2025396755 @default.
• W2063013988 cites W2028929023 @default.
• W2063013988 cites W2030170689 @default.
• W2063013988 cites W2032472136 @default.
• W2063013988 cites W2033036544 @default.
• W2063013988 cites W2043901868 @default.
• W2063013988 cites W2044115606 @default.
• W2063013988 cites W2044472996 @default.
• W2063013988 cites W2044947801 @default.
• W2063013988 cites W2046270371 @default.
• W2063013988 cites W2047495388 @default.
• W2063013988 cites W2047643592 @default.
• W2063013988 cites W2051116535 @default.
• W2063013988 cites W2056928595 @default.
• W2063013988 cites W2058141842 @default.
• W2063013988 cites W2059605663 @default.
• W2063013988 cites W2059980347 @default.
• W2063013988 cites W2060646070 @default.
• W2063013988 cites W2063170749 @default.
• W2063013988 cites W2064532199 @default.
• W2063013988 cites W2066556212 @default.
• W2063013988 cites W2067478482 @default.
• W2063013988 cites W2068415757 @default.
• W2063013988 cites W2069683530 @default.
• W2063013988 cites W2073086978 @default.
• W2063013988 cites W2078998588 @default.
• W2063013988 cites W2080098126 @default.
• W2063013988 cites W2082260955 @default.
• W2063013988 cites W2085266415 @default.
• W2063013988 cites W2088544928 @default.
• W2063013988 cites W2091046938 @default.
• W2063013988 cites W2092144432 @default.
• W2063013988 cites W2094905385 @default.
• W2063013988 cites W2096415083 @default.
• W2063013988 cites W2096921126 @default.
• W2063013988 cites W2099490136 @default.
• W2063013988 cites W2103641356 @default.
• W2063013988 cites W2107025108 @default.
• W2063013988 cites W2110872379 @default.
• W2063013988 cites W2114497898 @default.
• W2063013988 cites W2122633865 @default.
• W2063013988 cites W2127091309 @default.
• W2063013988 cites W2142966903 @default.
• W2063013988 cites W2143183478 @default.
• W2063013988 cites W2145326890 @default.
• W2063013988 cites W2152220941 @default.
• W2063013988 cites W2157199696 @default.
• W2063013988 cites W2159514058 @default.
• W2063013988 cites W2160944863 @default.
• W2063013988 cites W2163691382 @default.
• W2063013988 cites W2163845030 @default.
• W2063013988 cites W2952078678 @default.
• W2063013988 cites W4243703918 @default.
• W2063013988 cites W4292404993 @default.
• W2063013988 doi "https://doi.org/10.1021/ct100051a" @default.
• W2063013988 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/26615681" @default.
• W2063013988 hasPublicationYear "2010" @default.
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