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The work presented is a part of our continual study on the behavior of the polyene macrolide antibiotic amphotericin B (AmB) complexes with sterols on the molecular level. In contrast to the previously researched AmB–ergosterol binary complex, the AmB–ergosterol–AmB aggregates simulated of 2:1 stoichiometry retain significantly higher stability and relatively rigid, “sandwich” geometry. Van der Waals...
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