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Browsing M.S. Theses by Subject "Molecular dynamics."

Browsing M.S. Theses by Subject "Molecular dynamics."

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  • Ülgey, Esra. (Thesis (M.S.) - Bogazici University. Institute for Graduate Studies in Science and Engineering, 2022., 2022)
    Thymoquinone, a phytochemical with antitumor activity, and its derivative aminothymoquinone were investigated using Molecular Dynamics (MD) Simulations to understand their interactions with simple and complex bilayer models. ...
  • Üçyiğitler, Sinan. (Thesis (M.S.)-Bogazici University. Institute for Graduate Studies in Science and Engineering, 2006., 2006.)
    To study thermodynamic properties for hydrocarbons and oxygenated compounds, discontinuous molecular dynamics and thermodynamic perturbation theory have been used. Accurate thermodynamic predictions require realistic and ...

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