title: Computational design of biological catalysts.
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.
authors.affiliation: Departament de Química Física i Analítica, Universitat Jaume I, 12071 Castellón, Spain.
authors.forename: Sergio
authors.initials: S
authors.lastname: Martí
authors.forename: Juan
authors.initials: J
authors.lastname: Andrés
authors.forename: Vicent
authors.initials: V
authors.lastname: Moliner
authors.forename: Estanislao
authors.initials: E
authors.lastname: Silla
authors.forename: Iñaki
authors.initials: I
authors.lastname: Tuñón
authors.forename: Juan
authors.initials: J
authors.lastname: Bertrán
mesh_terms: D055162:Biocatalysis; D020134:Catalytic Domain; D003198:Computer Simulation; D015394:Molecular Structure; D015202:Protein Engineering