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We then quantitatively analyzed the RDF between the drug molecules and lipid molecules (Fig

Bond constraints involving hydrogen were applied with the LINCS algorithm (2 fs timestep), long-range electrostatics were treated with PME (cutoff 1.2 nm), and van der Waals interactions were truncated at 10

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Firstly, recombinant GST-STAT3-CCD (coiled-coil domain) (218-400), GST-STAT3-DBD (DNA-binding domain) (401-564), GST-STAT3-linker (565-663), and GST-STAT3-SH2 (Src homology 2 domain) (664-768) proteins were expressed and purified