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Cryo-EM data were collected on a Tecnai Arctica (FEI, Hillsboro, OR) at 200 kV, utilizing an energy filter and a direct electron detector (Gatan, Pleasanton, CA) operated by EPU software (Thermo Fisher Scientific, Waltham, MA)
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An output trajectory with a lot of structural ensembles was produced using the trajectory file that was received following the MD simulation of the protein with the top hit ligands
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