Publikationen

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)

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)

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)

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)

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)

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)

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)

Luo, C.; Kröger, M.; Sommer, J.-U.: Entanglements and Crystallization of Concentrated Polymer Solutions: Molecular Dynamics Simulations. Macromolecules 49 (23), S. 9017 - 9025 (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)

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)

Mousavi, M. P. S.; Kashef Ol Gheta, S.; Stein, A.; Bühlmann, P.: Electrochemical Stability of Quaternary Ammonium Cations: An Experimental and Computational Study. Journal of the Electrochemical Society 163 (2), S. H74 - H80 (2016)

Mousavi, M. P. S.; Wilson, B. E.; Kashefolgheta, S.; Anderson, E.; He, S.; Bühlmann, P.; Stein, A.: Ionic Liquids as Electrolytes for Electrochemical Double-Layer Capacitors: Structures that Optimize Specific Energy. ACS Applied Materials and Interfaces 8 (5), S. 3396 - 3406 (2016)

Robalo, J. R.; Ramalho, J. P. P.; Huster, D.; Loura, L. M. S.: Influence of the sterol aliphatic side chain on membrane properties: a molecular dynamics study. Physical Chemistry Chemical Physics 17 (35), S. 22736 - 22748 (2015)

Kashef Ol Gheta, S.; Vila Verde, A.: Excess sodium dramatically alters binding preference between oxoanions and cationic amino acids. In European Biophysics Journal with Biophysics Letters, 46 (Suppl. 1), P-402, S. S219 - S219. 19th IUPAB Congress / 11th EBSA Congress Location: British Biophys Soc, Edinburgh, Scotland, 16. Juli 2017 - 20. Juli 2017. Springer, Berlin (2017)

Luo, C.; Blank, K. G.; Lipowsky, R.; Vila Verde, A.: Mechanism of coiled-coil deformation under tension strongly depends on the pull speed. In European Biophysics Journal with Biophysics Letters, 46 (Suppl. 1), P-416, S. S222 - S222. 19th IUPAB Congress / 11th EBSA Congress Location: British Biophys Soc, Edinburgh, Scotland, 16. Juli 2017 - 20. Juli 2017. Springer, Berlin (2017)

Robalo, J. R.; Huhmann, S.; Koksch, B.; Vila Verde, A.: The multiple origins of the hydrophobicity of fluorinated apolar amino acids. In European Biophysics Journal with Biophysics Letters, 46 (Suppl. 1), P-628, S. S278 - S278. 19th IUPAB Congress / 11th EBSA Congress Location: British Biophys Soc, Edinburgh, Scotland, 16. Juli 2017 - 20. Juli 2017. Springer, Berlin (2017)