Paola Gallo

Dario Corradini3
H Eugene Stanley2
3Dario Corradini
2H Eugene Stanley
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In order to investigate the cryoprotective mechanism of trehalose on proteins, we use molecular dynamics computer simulations to study the microscopic dynamics of water upon cooling in an aqueous solution of lysozyme and trehalose. We find that the presence of trehalose causes global retardation of the dynamics of water. Comparing aqueous solutions of(More)
Jagla ramp particles, interacting through a ramp potential with two characteristic length scales, are known to show in their bulk phase thermodynamic and dynamic anomalies, similar to what is found in water. Jagla particles also exhibit a line of phase transitions separating a low density liquid phase and a high density liquid phase, terminating in a(More)
Aqueous solutions of LiCl have recently received much attention in connection with the study of the anomalies of supercooled water and its polyamorphism. From the point of view of computer simulation, there is need for a force field that can reproduce the structural and dynamical properties of this solution, and more importantly it is also simple enough to(More)
We perform molecular dynamics computer simulations in order to study the equation of state and the structure of supercooled aqueous solutions of methanol at methanol mole fractions x(m) = 0.05 and x(m) = 0.10. We model the solvent using the TIP4P/2005 potential and the methanol using the OPLS-AA force field. We find that for x(m) = 0.05 the behavior of the(More)
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