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Computational approaches in this domain included: Physiologically-based pharmacokinetic (PBPK) modeling Blood-brain barrier permeability prediction Metabolic stability simulation In silico toxicity assessment Drug-drug interaction prediction These computational predictions helped researchers prioritize compounds with optimal pharmacokinetic profiles before investing in expensive animal studies and clinical trials

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e , Model for the regulation of cell adhesion and protrusion by FBP: under low FBP concentrations, the inhibitory RCC2Rac1 complex is intact, preventing Rac1 activation and thus resulting in decreased cell protrusion and adhesion