A model of the interaction of DR5026 with a bacterial membrane.

https://doi.org/10.1371/journal.pone.0145918.g009
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posted on 2016-01-05, 14:53 authored by Natalya Panova, Eva Zborníková, Ondřej Šimák, Radek Pohl, Milan Kolar, Katerina Bogdanova, Renata Vecerova, Gabriela Seydlová, Radovan Fiser, Romana Hadravová, Hana Šanderová, Dragana Vítovská, Michaela Šiková, Tomáš Látal, Petra Lovecká, Ivan Barvík, Libor Krásný, Dominik Rejman

The final state of MD simulation after 55 ns shows DR5026 molecules penetrated into the phospholipid bilayer. The nitrogen atoms from the iminosugar modules of DR5026 are highlighted as blue spheres. Phosphorus atoms of the phospholipid bilayer (PB) are depicted as yellow/red spheres. For clarity, almost all atoms of the PB are hidden.