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Finally, Gromacs formatted topology was constructed using the cgenff_charmm2gmx.py script with CHARMM36 force field 33 and added with protein structure topology file to generate proteinligand complex
In addition, sorafenib, a kinase inhibitor approved for the treatment of RCC and HCC, inhibits SLC7A11 to suppress the growth of these tumors via the induction of ferroptosis 67,68
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Biochem Biophys Res Commun 340:302308
