BACKGROUND: The JAK2 MATERIALS AND METHODS: We employed computational approaches like high-throughput virtual screening, molecular dynamics simulations (MDS), and binding free energy calculations to identify inhibitors targeting wild and mutant JAK2 kinases. JAK2 RESULTS: SBLJ23 emerged as a top candidate inhibitor with specificity for JAK2 CONCLUSION: High binding affinity, stable interaction profile, favorable binding free energy, and