The root-mean-square deviation (RMSD) values of the ligand coded 3665 and the complexes formed by elagolix exhibit an increasing trend. Despite the relatively low RMSD value of the ligand coded 3665, it was observed that it did not attain equilibrium.
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Computational drug repurposing effort for identifying novel hits for the treatment of diseases such as endometriosis, uterine fibroids, and prostate cancer.
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