most citedHydration Free Energies of Linear Alkanes: Systematic Deviations in Common Water Models and Their Correction

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cond-mat.soft2026★ 1 cited

Hydration Free Energies of Linear Alkanes: Systematic Deviations in Common Water Models and Their Correction

Yalda Ramezani, Sumit Sharma

Common force fields overestimate the hydration free energies of hydrophobic solutes, leading to an exaggerated hydrophobic effect. We compute the hydration free energies of linear…