首页> 外国专利> METHOD OF FINDING EXPERIMENTALLY ELECTROSTATIC POTENTIAL BY MEM STRUCTURAL ANALYSIS OF X-RAY DIFFRACTION DATA OF CRYSTAL SUBSTANCE

METHOD OF FINDING EXPERIMENTALLY ELECTROSTATIC POTENTIAL BY MEM STRUCTURAL ANALYSIS OF X-RAY DIFFRACTION DATA OF CRYSTAL SUBSTANCE

机译:X射线衍射物质X射线衍射数据的MEM结构分析确定实验静电势的方法

摘要

PPROBLEM TO BE SOLVED: To apply electron density obtained by MEM structural analysis to a polymer represented by a protein to be applied to calculation of an electrostatic potential of the polymer. PSOLUTION: An electron density distribution is found by applying the MEM structural analysis to an X-ray diffraction data obtained experimentally, and an X-ray diffraction data not observed is predicted based thereon to find the electrostatic potential. PCOPYRIGHT: (C)2007,JPO&INPIT
机译:<要解决的问题:将通过MEM结构分析获得的电子密度应用于以蛋白质表示的聚合物,该蛋白质将用于计算聚合物的静电势。

解决方案:通过将MEM结构分析应用于实验获得的X射线衍射数据,可以找到电子密度分布,并据此预测未观察到的X射线衍射数据,以找到静电势。

版权:(C)2007,日本特许厅&INPIT

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