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cond-mat.stat-mech2025
Unveiling the entropic role of hydration water in SOD1 partitioning within FUS condensate
Luis Enrique Coronas, Stepan Timr, Fabio Sterpone +1
Biological processes like the sequestration of Superoxide Dismutase 1 (SOD1) into biomolecular condensates such as FUS and stress granules are essential to understanding disease me…
cond-mat.stat-mech2025
Efficient parallel algorithms for free-energy calculation of millions of water molecules in the fluid phases
Luis Enrique Coronas, Oriol Vilanova, Giancarlo Franzese
Simulating water droplets made up of millions of molecules and on timescales as needed in biological and technological applications is challenging due to the difficulty of balancin…
cond-mat.stat-mech2024
Phase behavior of metastable water from large-scale simulations of a quantitative accurate model: The liquid-liquid critical point
Luis Enrique Coronas, Giancarlo Franzese
Water's unique anomalies are vital in various applications and biological processes, yet the molecular mechanisms behind these anomalies remain debated, particularly in the metasta…