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Quantitative Conformational Analysis of Dissymmetric Macrolides by Molecular Modelling

机译:不对称大环内酯类化合物的分子构象定量构象分析

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Conformational analysis of dissymmetric macrolides was carried out using molecular modelling(molecular mechanics and molecular dynamics).Calculations indicate that each macrocycle presents eight families of preferential conformers.An important stereoselectivity of the complexed macrocycles was obtained.The Boltzmann distribution of the starting conformations can be used to predict the stereoselectivity of these reactions.
机译:使用分子建模(分子力学和分子动力学)对不对称大环内酯类进行构象分析,计算结果表明每个大环呈现八个优先构象族,获得了复杂大环的重要立体选择性,起始构象的玻尔兹曼分布为用于预测这些反应的立体选择性。

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