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- W1967605434 abstract "We present a new computational strategy for the design and evaluation of novel enzymatic pathways for the biosynthesis of fuels and chemicals. The approach combines the use of the Biochemical Network Integrated Computational Explorer (BNICE) framework and a structure-based screening method for rapid generation and evaluation of novel enzymatic reactions and pathways. The strategy is applied to a case study of 1-butanol production from pyruvate, which yielded nine novel biosynthetic pathways. Using screening criteria based on pathway length, thermodynamic feasibility, and metabolic flux analysis, all nine novel pathways were deemed to be attractive candidates. To further assess their feasibility of implementation, we introduced a new screening criterion based on structural complementarity using molecular docking methods. We show that this approach correctly reproduces the native binding poses for a wide range of enzymes in key classes related to 1-butanol production and provides qualitative agreement with experimental measures of catalytic activity for different substrates. In addition, we show that the structure-based methods can be used to select specific proteins that may be promising candidates to catalyze novel reactions." @default.
- W1967605434 created "2016-06-24" @default.
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- W1967605434 date "2011-07-05" @default.
- W1967605434 modified "2023-09-27" @default.
- W1967605434 title "A Computational Approach To Design and Evaluate Enzymatic Reaction Pathways: Application to 1-Butanol Production from Pyruvate" @default.
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- W1967605434 cites W1576708451 @default.
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- W1967605434 cites W1973076143 @default.
- W1967605434 cites W1976266924 @default.
- W1967605434 cites W1978119727 @default.
- W1967605434 cites W1985588649 @default.
- W1967605434 cites W1985687822 @default.
- W1967605434 cites W1986240377 @default.
- W1967605434 cites W1988927788 @default.
- W1967605434 cites W1989773022 @default.
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- W1967605434 doi "https://doi.org/10.1021/ci2000659" @default.
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