Benchmarking protein-ligand co-folding across Nav, Cav and Kv-family channels
Results show that current co-folding methods remain unreliable as stand-alone predictors of ion-channel ligand-binding modes and highlight pose sampling, pocket selection, ligand representation and independent structural validation as priorities for methodological development.
Yu Zhu, Taufiq Rahman
· Frontiers in Biophysics · 0 citations