Cannabidiol inhibits both human Kv7.1 and Kv7.1/KCNE1 channels through distinct sites

Molecular dynamics data for the paper: "Cannabidiol inhibits both human Kv7.1 and Kv7.1/KCNE1 channels through distinct sites." Data set: Q1_6UZZ_APO (Simulation of apo Kv7.1 structure) Q1_6UZZ_CBD (Simulation of CBD-bound Kv7.1 structure) Q1_chai1_CBD (Simulation of CBD-bound chai-1 predicted Kv7.1 structure) Q1E1_6V00_APO (Simulation of apo Kv7.1/KCNE1 model) Q1E1_6V00_CBD (Simulation of CBD-bound Kv7.1/KCNE1 model) Q1E1_chai1_CBD (Simulation of CBD-bound chai-1 predicted Kv7.1/KCNE1 structure) The protein in each simulation reflects the transmembrane section. The most populated binding pose clusters for CBD in the Kv7.1 (Q1_6UZZ_CBD) structure and the Kv7.1/KCNE1 (Q1E1_6V00_CBD) model are provided.Water, ions and lipids have been removed; only every 10th frame of the simulation trajectories is kept.