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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
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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
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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
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