Electrostatics as a Guiding Principle in Understanding and Designing Enzymes.

Enzyme design faces challenges related to the implementation of the basic principles that govern the catalytic activity in natural enzymes. In this work, we revisit basic electrostatic concepts that have been shown to explain the origin of enzymatic efficiency like preorganization and reorganization. Using magnitudes such as the electrostatic potential and the electric field generated by the protein, we explain how these concepts work in different enzymes and how they can be used to rationalize the consequences of point mutations. We also discuss examples of protein design in which electrostatic effects have been implemented. For the near future, molecular simulations, coupled with the use of machine learning methods, can be used to implement electrostatics as a guiding principle for enzyme designs.

Reflexionando con Benito Menni en el siglo XXI / No disponible

En la situación actual de crisis económica es fácil que a nivel asistencial se presenten conflictos entre distintos valores hospitalarios, debiendo priorizar unos por encima de otros. Ante esa situación se decide estudiar e investigar los valores a los que San Benito Menni daba mayor prioridad, es decir su jerarquía de valores. Para ello, se constituyó un grupo de reflexión que, a través del estudio de la abundante documentación epistolar referida al padre Menni y su enmarque en las diferencias entre el escenario socioeconómico-cultural de finales del siglo XIX y el actual, propone una metodología de consenso deductiva-inductiva cuya síntesis es una carta consejo del padre Menni dirigida a los problemas y conflictos actuales (AU)

In the current economic crisis, conflicts between different hospital values are presented. Given this situation it was decided to study and investigate the hierarchy of values of San Benito Menni. A think tank that studied the abundant epistolary documentation referred to Father Menni and its historical context and cultural socio-economic scenario (late nineteenth century and early twentyfirst century) was formed. This group uses a methodology of deductive-inductive consensus whose synthesis is a Father Menni letter addressed to current conflicts (AU)