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Research Article

Ranked binding energies of residues and data fusion to identify the active and selective pyrimidine-based Janus kinases 3 (JAK3) inhibitors

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Pages 23-34 | Received 23 Sep 2021, Accepted 29 Nov 2021, Published online: 17 Dec 2021

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H. Rezaie, M. Asadollahi-Baboli & S.K. Hassaninejad-Darzi. (2022) Hybrid consensus and k-nearest neighbours (kNN) strategies to classify dual BRD4/PLK1 inhibitors. SAR and QSAR in Environmental Research 33:10, pages 779-792.
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Abdelmoujoud Faris, Ibrahim M. Ibrahim, Radwan Alnajjar, Hanine Hadni, Mashooq Ahmad Bhat, Muhammad Yaseen, Souvik Chakraborty, Nada Alsakhen, Israa M. Shamkh, Fazal Mabood, Ahmed M. Naglah, Ihsan Ullah, Noha Ziedan & Menana Elhallaoui. QSAR-driven screening uncovers and designs novel pyrimidine-4,6-diamine derivatives as potent JAK3 inhibitors. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-30.
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