Multiresolution molecular dynamics simulations reveal the interplay between conformational variability and functional interactions in membrane-bound cytochrome 2B4
S. B. Han, J. Teuffel, G. Mukherjee, R. C. Wade
This study uses multiresolution molecular dynamics simulations to show how conformational changes in CYP 2B4 affect ligand access and inhibitor binding.
bioRxiv · Apr 18, 2024 · PreprintBiochemistry