24/04/2017 | Coloquios en el CIBION
Agustina Rodríguez Granillo – Viernes 28 de Abril 11:00 hs

Application of computational modeling in biocatalysis and enzyme design

The incorporation of structural modeling into typical biocatalysis workflows has proven to be crucial to understand enzyme specificity and promiscuity. The next logical step is to use computational modeling to predict enzyme variants that will improve conversion or selectivity, thus reducing the time and screening complexity of traditional directed evolution campaigns. Here, we summarize various examples where computational modeling has been used to explain and predict enzyme activity, as well as to guide the design of improved variants that are relevant from a process perspective. Different enzymes classes will be presented.

Últimas entradas
Grupo de espectrometría de masas bioanalítica - CIBION CONICET
Centre de Biochimie Structurale, INSERM/CNRS, Montpellier, France.
Instituto de Investigación e Ingeniería Ambiental, UNSAM
Grupo de Química Supramolecular-CIBION-CONICET
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), Universidad Nacional de La Plata (UNLP) - CONICET.