Tomorrow I will present what I've been doing since March in Lucie @DelemotteLab group, with the help of @Darko_physics. We are trying to use AlphaFold2-derived CVs and AWH to explore the conf dynamics of mitochondrial carriers. Poster P-516 #EBSA2023
We convinced @Darko_physics and Lucie this would be worthwhile. They were able to predict a complete conformational ensemble w/ and w/o a substrate MPP+ of OCT1 from the alphafold2 model (below)! 🤩 WOW! In this time 2 studies started tricklin' out on OCT1/3 structures.