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Issue 21, 2018
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Computational chemistry strategies in natural product synthesis

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The synthesis of natural products increasingly uses computational chemistry approaches to model and understand molecular phenomena. Calculations are employed to rationalize reaction outcomes, predict how a new system will perform, and inform synthetic design. As a result, new insights into the interactions of fundamental chemical forces have emerged that advance the field of complex small molecule synthesis. This review presents ten examples of computational techniques used in the synthesis of natural products, and discusses the unique perspectives afforded by these quantitative analyses.

Graphical abstract: Computational chemistry strategies in natural product synthesis

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Publication details

The article was received on 01 May 2018 and first published on 07 Aug 2018

Article type: Tutorial Review
DOI: 10.1039/C8CS00351C
Citation: Chem. Soc. Rev., 2018,47, 7830-7844

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    Computational chemistry strategies in natural product synthesis

    M. Elkin and T. R. Newhouse, Chem. Soc. Rev., 2018, 47, 7830
    DOI: 10.1039/C8CS00351C

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