Coupling of binding and conformational equilibria in weak polyelectrolytes. Dynamics and charge regulation of biopolymers in crowded media.
by Dr., Pablo Miguel Blanco Andrés
Dr. Andrés, one of our new post-docs, will present results obtained in his PhD thesis. The talk will discuss conformational, ionization, elastic and diffusive properties of weak polyelectrolytes and biopolymers using theoretical and computational simulation techniques. On the one hand, a complex interplay of the ionization and conformational degrees of freedom of weak polyelectrolytes will be addressed and a new theoretical model of a weak polyelectrolyte will be introduced. An effect of charge regulation on its elastic response using constant pH Monte Carlo simulations will be shown as well. On the other hand, the diffusive and ionization properties of biopolymers in solution with a high concentration of macromolecules, known as macromolecular crowding, using Brownian Dynamics and constant pH simulations respectively will be also addressed.
Organizers: Prof. Tomáš Obšil, Prof. Jiří Čejka, Dr. Jan Přech
