Discovery of lipid binding sites in a ligand-gated ion channel by integrating simulations and cryo-EM
Year: 2022
Type: preprint
Abstract: Clustered_frames TAR folder: contains GRO and XTC files of simulations frames clustered into five different states (0-4). State annotations are included in the file names. The state annotations "open" and "closed" represent the clusters primarily discussed in the paper. Densities TAR folder: contains DX files of computational lipid densities. Mutant_simulations TAR folder: contains GRO and XTC files from three mutant simulations (T274A, T274W and W217A). For each mutant there are 8 replicate simulations. MDP file: simulation parameters for running the MD simulations in GROMACS
Language: English
Subfield: Molecular Biology
Domain: Life Sciences
Open Access status: green
OpenAlex ID: W6969242121