This study presents the solution structure of the macrocyclic anti-leukemia agent midostaurin, based on the excellent agreement between the experimental electronic circular dichroism (ECD) spectrum in solution and the theoretical spectra of the midostaurin-solvent aggregate. This approach establishes a straightforward and effective methodology for structural characterization in solution.
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Z. jiang, Q. Wang, H. Xu, Y. lv, Y. lei, Y. Jin, Y. sun and Z. Wang, Phys. Chem. Chem. Phys., 2026, Accepted Manuscript , DOI: 10.1039/D5CP04820F
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