References

Primary citations

If this package was useful to you, please cite the following papers:

L. Martínez, ComplexMixtures.jl: Investigating the structure of solutions of complex-shaped molecules from a solvent-shell perspective. J. Mol. Liq. 347, 117945, 2022. [Full Text]
L. Martínez, S. Shimizu, Molecular interpretation of preferential interactions in protein solvation: a solvent-shell perspective by means of minimum-distance distribution functions. J. Chem. Theor. Comp. 13, 6358–6372, 2017. [Full Text]

F. C. Ramos, L. Martínez, Molecular dynamics and solvation structures of the β-glucosidase from Humicola insolens (BGHI) in aqueous solutions containing glucose Int. J. Biol. Macromol. 2024. [Full Text]
V. Piccoli, L. Martínez, Competitive Effects of Anions on Protein Solvation by Aqueous Ionic Liquids. J. Phys. Chem. B 128, 7792-7802, 2024. [Full Text]
A. F. Pereira, L. Martínez, Helical Content Correlations and Hydration Structures of the Folding Ensemble of the B Domain of Protein A. J. Chem. Inf. Model. 64, 3350-3359, 2024. [Full Text]
A. F. Pereira, V. Piccoli, L. Martínez, Trifluoroethanol direct interactions with protein backbones destabilize alpha-helices. J. Mol. Liq. 365, 120209, 2022. [Full Text]
V. Piccoli, L. Martínez, Ionic liquid solvation of proteins in native and denatured states. J. Mol. Liq. 363, 119953, 2022. [Full Text]
V. Piccoli, L. Martínez, Correlated counterion effects in the solvation of proteins by ionic-liquids. J. Mol. Liq. 320, 114347, 2020. [Full Text]
I. P. de Oliveira, L. Martínez, The shift in urea orientation at protein surfaces at low pH is compatible with a direct mechanism of protein denaturation. Phys. Chem. Chem. Phys. 22, 354-367, 2020. [Full Text]
I. P. de Oliveira, L. Martínez, Molecular basis for competitive solvation of the Burkholderia cepacia lipase by sorbitol and urea. Phys. Chem. Chem. Phys. 18, 21797-21808, 2016. [Full Text]