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