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Molecular docking The energy-minimum conformation of hydroxyurea for docking was obtained by the conformation search function of Molecular Operating Environment (MOE v2019.0102, Chemical Computing Group ULC, Montreal, QC, Canada)

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Urbancic KF, Pisasale D, Wight J, Trubiano JA (2018) Dapsone safety in hematology patients: pathways to optimizing Pneumocystis jirovecii pneumonia prophylaxis in hematology malignancy and transplant recipients