Publications
Journal Article (23)
1.
Journal Article
122 (12), pp. 2577 - 2589 (2023)
Prevalence and mechanism of synergistic carboxylate-cation-water interactions in halophilic proteins. Biophysical Journal 2.
Journal Article
120 (13), pp. 2746 - 2762 (2021)
Proteins maintain hydration at high [KCl] concentration regardless of content in acidic amino acids. Biophysical Journal 3.
Journal Article
60 (1), pp. 232 - 236 (2021)
Fortified coiled coils: enhancing mechanical stability with lactam or metal staples. Angewandte Chemie International Edition 4.
Journal Article
125 (49), pp. 13552 - 13564 (2021)
Influence of methylene fluorination and chain length on the hydration shell structure and thermodynamics of linear diols. The Journal of Physical Chemistry B 5.
Journal Article
16 (43), pp. 9917 - 9928 (2020)
Unfolding mechanism and free energy landscape of single, stable, alpha helices at low pull speeds. Soft Matter 6.
Journal Article
22 (40), pp. 22997 - 23008 (2020)
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 7.
Journal Article
22 (21), pp. 12140 - 12153 (2020)
Cooperativity and ion pairing in magnesium sulfate aqueous solutions from the dilute regime to the solubility limit. Physical Chemistry Chemical Physics 8.
Journal Article
21 (18), pp. 9145 - 9149 (2019)
Structural determinants of coiled coil mechanics. Physical Chemistry Chemical Physics 9.
Journal Article
141 (40), pp. 15856 - 15868 (2019)
Hydrophobic but water-friendly: favourable water-perfluoromethyl interactions promote hydration shell defects. Journal of the American Chemical Society 10.
Journal Article
21 (4), pp. 2029 - 2038 (2019)
Unexpected Trends in the Hydrophobicity of Fluorinated Amino Acids Reflect Competing Changes in Polarity and Conformation. Physical Chemistry Chemical Physics 11.
Journal Article
20 (46), pp. 29105 - 29115 (2018)
Trimeric coiled coils expand the range of strength, toughness and dynamics of coiled coil motifs under shear. Physical Chemistry Chemical Physics 12.
Journal Article
149, 244120 (2018)
Goodness of fit testing in dynamic single-molecule force spectroscopy. The Journal of Chemical Physics 13.
Journal Article
9 (20), pp. 4610 - 4621 (2018)
Molecular mechanics of coiled coils loaded in the shear geometry. Chemical Science 14.
Journal Article
8, 101 (2018)
Tissue damage, temperature and pH induced by different electrode arrays on potato pieces (Solanum tuberosum L.). Frontiers in Oncology 15.
Journal Article
19 (31), pp. 20593 - 20607 (2017)
Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions. Physical Chemistry Chemical Physics 16.
Journal Article
3 (5), pp. 881 - 897 (2017)
The multiple origins of the hydrophobicity of fluorinated apolar amino acids. Chem 17.
Journal Article
13 (5), pp. 2112 - 2122 (2017)
Is the solution activity derivative sufficient to parametrize ion–ion interactions? Ions for tip5p water. Journal of Chemical Theory and Computation 18.
Journal Article
1858 (11), pp. 2647 - 2661 (2016)
Diphenylhexatriene membrane probes DPH and TMA-DPH: a comparative molecular dynamics simulation study. Biochimica et Biophysica Acta - Biomembranes 19.
Journal Article
120 (25), pp. 4277 - 4284 (2016)
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 20.
Journal Article
49 (23), pp. 9017 - 9025 (2016)
Entanglements and crystallization of concentrated polymer solutions: molecular dynamics simulations. Macromolecules