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Acta Pharmacol Sin 44 , 421433 (2023)
Preoperative Evaluation : A thorough medical assessment is crucial
Based on analyses of available crystal structures a tentative model for 23 (HA08) binding to IRAP was created in 2016 by applying MD simulations and calculating associated binding free energies by the linear interaction energy (LIE) method
However, only a refinement named PFI-14 is available but no data have been published using the tool, said study author Ulrich Mrowietz, MD, and colleagues
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