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J. Oluwasegun

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Review Open access Oct 2026

Simulating Transport Across the Blood–Brain Barrier Endothelial Membrane: Comparing Unbiased Molecular Dynamics Methods to Enhanced Sampling Protocols

The blood–brain barrier (BBB) is a highly selective membrane that restricts the delivery of therapeutics into the brain. In this review, we consider a number of computational techniques that can be used to assess BBB transport and central nervous system (CNS) delivery. We outline the details of human brain microvascula...

J. Oluwasegun, Ben William Franey, Christian Jorgensen · 0 citations

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