Computational design of biological catalysts

Sergio Martí, Juan Andrés, Vicent Moliner, Estanislao Silla, Iñaki Tuñón, Juan Bertrán

    Research output: Contribution to journalArticleResearchpeer-review

    38 Citations (Scopus)

    Abstract

    The purpose of this tutorial review is to illustrate the way to design new and powerful catalysts. The first possibility to get a biological catalyst for a given chemical process is to use existing enzymes that catalyze related reactions. The second possibility is the use of immune systems that recognize stable molecules resembling the transition structure of the target reaction. We finally show how computational techniques are able to provide an enormous quantity of information, providing clues to guide the development of new biological catalysts. © 2008 The Royal Society of Chemistry.
    Original languageEnglish
    Pages (from-to)2634-2643
    JournalChemical Society Reviews
    Volume37
    Issue number12
    DOIs
    Publication statusPublished - 27 Nov 2008

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