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Bianco, Valentino ; Pagès-Gelabert, Neus ; Coluzza, Ivan ; Franzese, Giancarlo | Elsevier BV | 2017-11Proteins tend to adopt a single or a reduced ensemble of configurations at natural conditions [1], but changes in temperature T and pressure P induce their unfolding. Therefore for each protein there is a stability region (SR) in the T–P thermod[...]texto impreso
Numerical simulations for a number of water models have supported the possibility of a metastable liquid-liquid critical point (LLCP) in the deep supercooled region. Here we consider a theoretical model for a supercooled liquid water monolayer a[...]texto impreso
We present a computational study on the folding and aggregation of proteins in an aqueous environment, as a function of its concentration. We show how the increase of the concentration of individual protein species can induce a partial unfolding[...]
