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Journal Article (31)

2020
Journal Article
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 (2020)
Journal Article
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), pp. 22997 - 23008 (2020)
Journal Article
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), pp. 12140 - 12153 (2020)
2019
Journal Article
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), pp. 15856 - 15868 (2019)
Journal Article
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), pp. 2029 - 2038 (2019)
2018
Journal Article
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), pp. 29105 - 29115 (2018)
Journal Article
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)
Journal Article
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), pp. 4610 - 4621 (2018)
2017
Journal Article
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), pp. 20593 - 20607 (2017)
Journal Article
Robalo, J. R.; Huhmann, S.; Koksch, B.; Verde, A. V.: The Multiple Origins of the Hydrophobicity of Fluorinated Apolar Amino Acids. Chem 3 (5), pp. 881 - 897 (2017)
Journal Article
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), pp. 2112 - 2122 (2017)
2016
Journal Article
Vila Verde, A.; Frenkel, D.: Kinetics of formation of bile salt micelles from coarse-grained Langevin Dynamics simulations. Soft Matter 12 (23), pp. 5172 - 5179 (2016)
Journal Article
Vila Verde, A.; Santer, M.; Lipowsky, R.: Solvent-shared pairs of densely charged ions induce intense but short-range supra-additive slowdown of water rotation. Physical Chemistry Chemical Physics 18 (3), pp. 1918 - 1930 (2016)
2013
Journal Article
Minh Dang, T.; Vila Verde, A.; Van Nguyen, D.; Bolhuis, P. G.; Schall, P.: Temperature-sensitive colloidal phase behavior induced by critical Casimir forces. JOURNAL OF CHEMICAL PHYSICS 139 (9), 094903 (2013)
Journal Article
Tong, Y.; Vila Verde, A.; Campen, K.: The Free OD at the Air/D2O Interface is Structurally and Dynamically Heterogeneous. The Journal of Physical Chemistry B 117 (39), pp. 11753 - 11764 (2013)
Journal Article
Vila Verde, A.; Lipowsky, R.: Cooperative Slowdown of Water Rotation near Densely charged Ions Is Intense but Short-Ranged. The Journal of Physical Chemistry B 117, pp. 10556 - 10566 (2013)
2012
Journal Article
Verde, A. V.; Bolhuis, P. G.; Campen, R. K.: Statics and Dynamics of Free and Hydrogen-Bonded OH Groups at the Air/Water Interface. The Journal of Physical Chemistry B 116 (31), pp. 9467 - 9481 (2012)
2011
Journal Article
Hsieh, C.-S.; Campen, R. K.; Vila Verde, A.; Bolhuis, P.; Nienhuys, H.-K.; Bonn, M.: Ultrafast Reorientation of Dangling OH Groups at the Air-Water Interface Using Femtosecond Vibrational Spectroscopy. Physical Review Letters 107, 116102 (2011)
Journal Article
Vila Verde, A.: Comment on “Principal Role of the Stepwise Aggregation Mechanism in Ionic Surfactant Solutions Near the Critical Micelle Concentration. Molecular Dynamics Study”. The Journal of Physical Chemistry B 115 (8), p. 1927 (2011)
Journal Article
Vila Verde, A.; Beltramo, P. J.; Maranas, J. K.: Adsorption of Homopolypeptides on Gold Investigated Using Atomistic Molecular Dynamics. Langmuir 27 (10), pp. 5918 - 5926 (2011)
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