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• W2000124636 abstract "Due to the importance of the hydrophobic interaction in protein folding, we decided to study the effect of pressure and temperature on the phase transitions of non-polar solutes in water, and thereby their solubility, using molecular dynamics simulations. The main results are: (1) within a certain range, temperature induces the aggregation of Lennard-Jones particles in water; and (2) pressure induces disaggregation of the formed clusters. From the simulated data, a non-monotonic coexistence curve for the binary system was obtained, from which a critical point of Tc = 383 ± 9 K and pc = 937 ± 11 bar was determined. The results are in accordance with previous experimental evidence involving transitions of hydrocarbons in water mixtures, and protein unfolding." @default.
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• W2000124636 date "2012-10-05" @default.
• W2000124636 modified "2023-10-17" @default.
• W2000124636 title "Aggregation of non-polar solutes in water at different pressures and temperatures: The role of hydrophobic interaction" @default.
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• W2000124636 doi "https://doi.org/10.1063/1.4755752" @default.
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