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

摘要

PROBLEM 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.

SOLUTION: 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.

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