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. 2021 Aug 19;11:16856. doi: 10.1038/s41598-021-96226-6

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© The Author(s) 2021

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(A,B) Two views of the P-gp rotated about 80 degrees around the vertical axis; they are zoomed in (C,D. (C) Superimposition of the most populated clusters from a representative trajectory for compound 7b (red tones), doxorubicin (green tones) and compound 8 (blue tones). (D) The same for compounds 7b and 8 and for Taxol (gray tones).