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- W2894733400 endingPage "6630" @default.
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- W2894733400 abstract "We review the standard model for de novo computational design of enzymes, which primarily focuses on the development of an active-site geometry, composed of protein functional groups in orientations optimized to stabilize the transition state, for a novel chemical reaction not found in nature. Its emphasis is placed on the structure and energetics of the active site embedded in an accommodating protein that serves as a physical support that shields the reaction chemistry from solvent, which is typically improved upon by laboratory-directed evolution. We also provide a review of design strategies that move beyond the standard model, by placing more emphasis on the designed enzyme as a whole catalytic construct. Starting with complete de novo enzyme design examples, we consider additional design factors such as entropy of individual residues, correlated motion between side chains (mutual information), dynamical correlations of the enzyme motions that could aid the reaction, reorganization energy, and electric fields as ways to exploit the entire protein scaffold to improve upon the catalytic rate, thereby providing directed evolution with better starting sequences for increasing biocatalytic performance." @default.
- W2894733400 created "2018-10-12" @default.
- W2894733400 creator A5055958465 @default.
- W2894733400 creator A5056814590 @default.
- W2894733400 date "2018-10-02" @default.
- W2894733400 modified "2023-10-18" @default.
- W2894733400 title "Computational Design of Synthetic Enzymes" @default.
- W2894733400 cites W1487675418 @default.
- W2894733400 cites W152086352 @default.
- W2894733400 cites W1542496341 @default.
- W2894733400 cites W1549240509 @default.
- W2894733400 cites W1681479328 @default.
- W2894733400 cites W1834588461 @default.
- W2894733400 cites W1867407877 @default.
- W2894733400 cites W1869042642 @default.
- W2894733400 cites W1954202239 @default.
- W2894733400 cites W1966261802 @default.
- W2894733400 cites W1967013503 @default.
- W2894733400 cites W1967097202 @default.
- W2894733400 cites W1969423952 @default.
- W2894733400 cites W1969524849 @default.
- W2894733400 cites W1969644422 @default.
- W2894733400 cites W1969868335 @default.
- W2894733400 cites W1976398202 @default.
- W2894733400 cites W1978010748 @default.
- W2894733400 cites W1978964903 @default.
- W2894733400 cites W1979714456 @default.
- W2894733400 cites W1980864472 @default.
- W2894733400 cites W1981880673 @default.
- W2894733400 cites W1982792504 @default.
- W2894733400 cites W1983030572 @default.
- W2894733400 cites W1985588478 @default.
- W2894733400 cites W1986602531 @default.
- W2894733400 cites W1987696643 @default.
- W2894733400 cites W1988460509 @default.
- W2894733400 cites W1989606749 @default.
- W2894733400 cites W1989686471 @default.
- W2894733400 cites W1989747730 @default.
- W2894733400 cites W1990522521 @default.
- W2894733400 cites W1992888813 @default.
- W2894733400 cites W1993174731 @default.
- W2894733400 cites W1993844585 @default.
- W2894733400 cites W1994360824 @default.
- W2894733400 cites W1994593429 @default.
- W2894733400 cites W1994752630 @default.
- W2894733400 cites W1996142946 @default.
- W2894733400 cites W1998183609 @default.
- W2894733400 cites W1999691108 @default.
- W2894733400 cites W2002219567 @default.
- W2894733400 cites W2005256875 @default.
- W2894733400 cites W2006357412 @default.
- W2894733400 cites W2007067680 @default.
- W2894733400 cites W2008210326 @default.
- W2894733400 cites W2008609697 @default.
- W2894733400 cites W2008817152 @default.
- W2894733400 cites W2010197889 @default.
- W2894733400 cites W2011513747 @default.
- W2894733400 cites W2012837790 @default.
- W2894733400 cites W2014648178 @default.
- W2894733400 cites W2015449517 @default.
- W2894733400 cites W2019430378 @default.
- W2894733400 cites W2024296243 @default.
- W2894733400 cites W2024872256 @default.
- W2894733400 cites W2027743806 @default.
- W2894733400 cites W2028968631 @default.
- W2894733400 cites W2030460067 @default.
- W2894733400 cites W2031904472 @default.
- W2894733400 cites W2032281682 @default.
- W2894733400 cites W2033969841 @default.
- W2894733400 cites W2034100791 @default.
- W2894733400 cites W2038136713 @default.
- W2894733400 cites W2038284767 @default.
- W2894733400 cites W2038438351 @default.
- W2894733400 cites W2039951296 @default.
- W2894733400 cites W2040293024 @default.
- W2894733400 cites W2042338072 @default.
- W2894733400 cites W2049050207 @default.
- W2894733400 cites W2050357762 @default.
- W2894733400 cites W2052997154 @default.
- W2894733400 cites W2054172648 @default.
- W2894733400 cites W2056272924 @default.
- W2894733400 cites W2057249233 @default.
- W2894733400 cites W2061086240 @default.
- W2894733400 cites W2061486876 @default.
- W2894733400 cites W2063164139 @default.
- W2894733400 cites W2063731290 @default.
- W2894733400 cites W2064719117 @default.
- W2894733400 cites W2066381187 @default.
- W2894733400 cites W2066962978 @default.
- W2894733400 cites W2068522177 @default.
- W2894733400 cites W2068634959 @default.
- W2894733400 cites W2069814112 @default.
- W2894733400 cites W2070268621 @default.
- W2894733400 cites W2071030374 @default.
- W2894733400 cites W2073338313 @default.
- W2894733400 cites W2073673101 @default.
- W2894733400 cites W2075336631 @default.
- W2894733400 cites W2077933693 @default.