Issue 12, 2008
From the journal:

Chemical Society Reviews

Computational design of biological catalysts

Sergio Martí,a   Juan Andrés,a   Vicent Moliner,*a   Estanislao Silla,b   Iñaki Tuñón*b  and  Juan Bertránc  

* Corresponding authors

a Departament de Química Física i Analítica, Universitat Jaume I, Spain
E-mail: moliner@uji.es

b Departament de Química Física, Universitat de València, Spain
E-mail: ignacio.tunon@uv.es

c Departament de Química, Universitat Autònoma de Barcelona, Spain

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.

Graphical abstract: Computational design of biological catalysts

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Article information

DOI
https://doi.org/10.1039/B710705F
Article type
Tutorial Review
Submitted
07 Jul 2008
First published
06 Oct 2008

Chem. Soc. Rev., 2008,37, 2634-2643

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Computational design of biological catalysts

S. Martí, J. Andrés, V. Moliner, E. Silla, I. Tuñón and J. Bertrán, Chem. Soc. Rev., 2008, 37, 2634 DOI: 10.1039/B710705F

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