Computational enzyme design: Transitioning from catalytic proteins to enzymes

Wai Shun Mak, Justin Siegel

Research output: Contribution to journalArticle

29 Scopus citations

Abstract

The widespread interest in enzymes stem from their ability to catalyze chemical reactions under mild and ecologically friendly conditions with unparalleled catalytic proficiencies. While thousands of naturally occurring enzymes have been identified and characterized, there are still numerous important applications for which there are no biological catalysts capable of performing the desired chemical transformation. In order to engineer enzymes for which there is no natural starting point, efforts using a combination of quantum chemistry and force-field based protein molecular modeling have led to the design of novel proteins capable of catalyzing chemical reactions not catalyzed by naturally occurring enzymes. Here we discuss the current status and potential avenues to pursue as the field of computational enzyme design moves forward.

Original languageEnglish (US)
Pages (from-to)87-94
Number of pages8
JournalCurrent Opinion in Structural Biology
Volume27
Issue number1
DOIs
StatePublished - 2014

ASJC Scopus subject areas

  • Molecular Biology
  • Structural Biology

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