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首页> Journal of molecular graphics & modelling> A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process

A PM7 dynamic residue-ligand interactions energy landscape of the BACE1 inhibitory pathway by hydroxyethylamine compounds. Part I: The flap closure process

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作者： Gueto-Tettay, Carlos ^[1] ; Martinez-Consuegra, Alejandro ^[1] ; Zuchniarz, Joshua ^[1] ; Roberto Gueto-Tettay, Luis ^[1] ; Carlos Drosos-Ramirez, Juan ^[1]

作者单位： Univ Cartagena, Fac Ciencias Exactas & Nat, Grp Quim Bioorgan, Cartagena, Colombia ^[1]

关键词 BACE1 Hydroxyethylamine Flap PM7 MOPAC Interaction energy GROMACS Molecular dynamics

发布时间 2018-01-10

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