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Bianco, Valentino ; Espinosa, Jorge R. ; Vega de las Heras, Carlos | American Institute of Physics (AIP) | 2020Antifreeze proteins (AFPs) are biopolymers capable of interfering with ice growth. Their antifreeze action is commonly understood considering that the AFPs, by pinning the ice surface, force the crystal–liquid interface to bend forming an ice me[...]texto impreso
We study the dynamics and conformation of polymers composed by active monomers. By means of Brownian dynamics simulations we show that, when the direction of the self-propulsion of each monomer is aligned with the backbone, the polymer undergoes[...]texto impreso
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[...]texto impreso
Montero de Hijes, Pablo ; Espinosa, Jorge R. ; Bianco, Valentino ; Sanz García, Eduardo ; Vega de las Heras, Carlos | American Chemical Society (ACS) | 2020In this work, we study by means of simulations of hard spheres the equilibrium between a spherical solid cluster and the fluid. In the NVT ensemble we observe stable/metastable clusters of the solid phase in equilibrium with the fluid, represent[...]texto impreso
Bianco, Valentino ; Alonso-Navarro, Miren ; Di Silvio, Desire ; Moya, Sergio ; Cortajarena L., Aitziber ; Coluzza, Ivan | ACS | 2019We present a computational and experimental study on the folding and aggregation in solutions of multiple protein mixtures at different concentrations. We show how in protein mixtures, each component is capable of maintaining its folded state at[...]texto impreso
Rovigatti, Lorenzo ; Bianco, Valentino ; Tavares, José María ; Sciortino, Francesco | AIP Publishing | 2017A re-entrant gas-liquid spinodal was proposed as a possible explanation of the apparent divergence of the compressibility and specific heat off supercooling water. Such a counter-intuitive possibility, e.g., a liquid that becomes unstable to gas[...]
