Browsing Eczacılık Fakültesi Eczacılık Meslek Bilimleri Bölümü Koleksiyonu by Subject "AMBER"

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Development of AMBER parameters for molecular dynamics simulations of boron compounds containing aromatic structure

Kurt, Barış; Temel, Hamdi (Elsevier, 2021)

In this study, the Amber force field parameters for benzodioxaboroles which are boron compounds containing aromatic structure, were produced. The Root-Mean-Square Deviation (RMSD) value between the minimized geometries and ...