Items where Author is "Cazade, Pierre-André"
Number of items: 5. 2021Mondal, Padmabati and Cazade, Pierre-André and Das, Akshaya K. and Bereau, Tristan and Meuwly, Markus. (2021) Multipolar Force Fields for Amide-I Spectroscopy from Conformational Dynamics of the Alanine-Trimer. Journal of Physical Chemistry B, 125 (39). pp. 10928-10938 . 2018Gunnoo, Melissabye and Cazade, Pierre-André and Orlowski, Adam and Chwastyk, Mateusz and Liu, Haipei and Ta, Duy Tien and Cieplak, Marek and Nash, Michael and Thompson, Damien. (2018) Steered molecular dynamics simulations reveal the role of Ca2+ in regulating mechanostability of cellulose-binding proteins. Physical Chemistry Chemical Physics, 20 (35). pp. 22674-22680. 2015Cazade, Pierre-André and Zheng, Wenwei and Prada-Gracia, Diego and Berezovska, Ganna and Rao, Francesco and Clementi, Cecilia and Meuwly, Markus. (2015) A comparative analysis of clustering algorithms: O2 migration in truncated hemoglobin I from transition networks. Journal of Chemical Physics, 142 (2). 025103. Cazade, Pierre-André and Berezovska, Ganna and Meuwly, Markus. (2015) Coupled protein-ligand dynamics in truncated hemoglobin N from atomistic simulations and transition networks. Biochimica et Biophysica Acta (BBA) - General Subjects, 1850 (5). pp. 996-1005. Cazade, Pierre-André and Tran, Halina and Bereau, Tristan and Das, Akshaya K. and Kläsi, Felix and Hamm, Peter and Meuwly, Markus. (2015) Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study. Journal of Chemical Physics, 142 (21). p. 212415. |
