Coordinate files from LipIDens: Simulation assisted interpretation of lipid densities in cryo-EM structures of membrane proteins.

Coordinate files from the first and last frame of coarse-grained (CG) and atomistic (AT) molecular dynamics (MD) simulations used throughout the LipIDens pipeline. CG simulations were run for HHAT, OTOP1, ELIC, MscS, TRPV6, ChRmine, Ste2, Connexin-50, NPC1 and the PAT complex. All CG simulations were run for 10 x 15 μs with the exception of NPC1 which was simulated for 10 x 30 μs. AT simulations were run for HHAT (5 x 200 ns) and ELIC (3 x 200 ns) in apo configurations. File description: Directories for each protein are listed with the suffix CG or AT used to indicate the simulation resolution. md_fit_firstframe_X.gro - GROMACS structure file for the first frame of replicate X. md_fit_lastframe_X.gro - GROMACS structure file for the last frame of replicate X.