Co-folding of Membrane Proteins and Lipid Molecules Improves Membrane-Protein Structure Prediction Accuracy
Hiroaki Oheda, Masao Inoue, Toru Ekimoto, Tomoko Yamane, Mitsunori Ikeguchi
The paper introduces CoMPLip, a method that improves membrane-protein structure prediction by co-folding proteins with lipid molecules during AlphaFold 3 predictions, enhancing ligand-pose prediction and conformational sampling.
bioRxiv · Mar 25, 2026 · PreprintBioinformatics