Skip to main content
. 2023 Aug 9;14:4812. doi: 10.1038/s41467-023-40536-y

Fig. 9. Molecular dynamics simulation shows differing effects on fluctuations of BDK residues.

Fig. 9

A, B Root-mean-square fluctuations (RMSFs) based on MD show differences in BDK loop 1 and lipoyl binding pocket residue dynamics when bound to destabilizers or stabilizers. A RMSFs of BDK Cα atoms over all residues. B RMSFs of loop 1 and lipoyl-binding pocket residues. C Model of BDK inhibitor modulation of BDK-BCKDHE2 binding and BDK levels.