Publikationen

Geraili Daronkola, H.; Vila Verde, A.: Prevalence and mechanism of synergistic carboxylate-cation-water interactions in halophilic proteins. Biophysical Journal 122 (12), S. 2577 - 2589 (2023)

Geraili Daronkola, H.; Vila Verde, A.: Proteins maintain hydration at high [KCl] concentration regardless of content in acidic amino acids. Biophysical Journal 120 (13), S. 2746 - 2762 (2021)

López García, P.; de Araujo, A. D.; Bergues Pupo, A. E.; Tunn, I.; Fairlie, D. P.; Blank, K. G.: Fortified coiled coils: enhancing mechanical stability with lactam or metal staples. Angewandte Chemie International Edition 60 (1), S. 232 - 236 (2021)

Robalo, J. R.; Mendes de Oliveira, D.; Ben-Amotz, D.; Vila Verde, A.: Influence of methylene fluorination and chain length on the hydration shell structure and thermodynamics of linear diols. The Journal of Physical Chemistry B 125 (49), S. 13552 - 13564 (2021)

Bergues Pupo, A. E.; Lipowsky, R.; Vila Verde, A.: Unfolding mechanism and free energy landscape of single, stable, alpha helices at low pull speeds. Soft Matter 16 (43), S. 9917 - 9928 (2020)

Robalo, J. R.; Mendes de Oliveira, D.; Imhof, P.; Ben-Amotz, D.; Vila Verde, A.: Quantifying how step-wise fluorination tunes local solute hydrophobicity, hydration shell thermodynamics and the quantum mechanical contributions of solute–water interactions. Physical Chemistry Chemical Physics 22 (40), S. 22997 - 23008 (2020)

Sebastiani, F.; Vila Verde, A.; Heyden, M.; Schwaab, G.; Havenith, M.: Cooperativity and ion pairing in magnesium sulfate aqueous solutions from the dilute regime to the solubility limit. Physical Chemistry Chemical Physics 22 (21), S. 12140 - 12153 (2020)

López García, P.; Göktas, M.; Bergues Pupo, A. E.; Koksch, B.; Varón Silva, D.; Blank, K. G.: Structural determinants of coiled coil mechanics. Physical Chemistry Chemical Physics 21 (18), S. 9145 - 9149 (2019)

Robalo, J. R.; Streacker, L. M.; Mendes de Oliveira, D.; Imhof, P.; Ben-Amotz, D.; Vila Verde, A.: Hydrophobic but water-friendly: favourable water-perfluoromethyl interactions promote hydration shell defects. Journal of the American Chemical Society 141 (40), S. 15856 - 15868 (2019)

Robalo, J. R.; Vila Verde, A.: Unexpected Trends in the Hydrophobicity of Fluorinated Amino Acids Reflect Competing Changes in Polarity and Conformation. Physical Chemistry Chemical Physics 21 (4), S. 2029 - 2038 (2019)

Bergues Pupo, A. E.; Blank, K. G.; Lipowsky, R.; Vila Verde, A.: Trimeric coiled coils expand the range of strength, toughness and dynamics of coiled coil motifs under shear. Physical Chemistry Chemical Physics 20 (46), S. 29105 - 29115 (2018)

Bergues Pupo, A. E.; Göktas, M.; Tunn, I.; López García, P.; Vila Verde, A.; Blank, K.; Valleriani, A.: Goodness of fit testing in dynamic single-molecule force spectroscopy. The Journal of Chemical Physics 149, 244120 (2018)

Goktas, M.; Luo, C.; Sullan, R. M. A.; Bergues-Pupo, A. E.; Lipowsky, R.; Vila Verde, A.; Blank, K. G.: Molecular mechanics of coiled coils loaded in the shear geometry. Chemical Science 9 (20), S. 4610 - 4621 (2018)

González, M. M.; Aguilar, C. H.; Pacheco, F. A. D.; Cabrales, L. E. B.; Reyes, J. B.; Nava, J. J. G.; Ambrosio, P. E.; Domiguez, D. S.; González, G. V. S.; Bergues Pupo, A. E. et al.; Ciria, H. M. C.; Alemán, E. I.; García, F. M.; Rivas, C. B.; Reina, E. C.: Tissue damage, temperature and pH induced by different electrode arrays on potato pieces (Solanum tuberosum L.). Frontiers in Oncology 8, 101 (2018)

Kashefolgheta, S.; Vila Verde, A.: Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions. Physical Chemistry Chemical Physics 19 (31), S. 20593 - 20607 (2017)

Robalo, J. R.; Huhmann, S.; Koksch, B.; Verde, A. V.: The multiple origins of the hydrophobicity of fluorinated apolar amino acids. Chem 3 (5), S. 881 - 897 (2017)

Satarifard, V.; Kashefolgheta, S.; Verde, A. V.; Grafmüller, A.: Is the solution activity derivative sufficient to parametrize ion–ion interactions? Ions for tip5p water. Journal of Chemical Theory and Computation 13 (5), S. 2112 - 2122 (2017)

Canto, A. M.T.M. d.; Robalo, J. R.; Santos, P. D.; Carvalho, A. J. P.; Ramalho, J.P. P.; Loura, L. M.S.: Diphenylhexatriene membrane probes DPH and TMA-DPH: a comparative molecular dynamics simulation study. Biochimica et Biophysica Acta - Biomembranes 1858 (11), S. 2647 - 2661 (2016)

Derakhshani-Molayousefi, M.; Kashefolgheta, S.; Eilers, J. E.; Lu, Y.: Computational replication of the primary isotope dependence of secondary kinetic isotope effects in solution hydride transfer reactions: supporting the isotopically different tunneling ready state conformations. The Journal of Physical Chemistry A 120 (25), S. 4277 - 4284 (2016)

Luo, C.; Kröger, M.; Sommer, J.-U.: Entanglements and crystallization of concentrated polymer solutions: molecular dynamics simulations. Macromolecules 49 (23), S. 9017 - 9025 (2016)