biostudies-literatureUnknown26Brandner AAgence Nationale de la RechercheGrand Équipement National De Calcul IntensifIn this work we present a novel set of possible auto-oligomerisation states of yeast protein Fzo1 in the context of membrane docking. The dataset reports atomistic models and trajectories derived from a molecular dynamics study of the yeast mitofusin Fzo1, residues 101-855. The initial modelling was followed by coarse-grained molecular dynamics simulation to evaluate the stability and the dynamics of each structural model in a solvated membrane environment. Simulations were run for 1 μs and collected with GROMACS v5.0.4 using the martini v2.1 force field. For each structural model, the dataset comprises the production phase under semi-isotropic condition at 1 bar, 310 K and 150 mn NaCl. The integration step is 20 fs and coordinates have been saved every 1 ns. Each trajectory is associated Data in brief104460https://www.ebi.ac.uk/biostudies/studies/S-EPMC6811871biostudies-literatureStructural dataset from microsecond-long simulations of yeast mitofusin Fzo1 in the context of membrane docking.PMC6811871Cohen MMDe Vecchis DBaaden MTaly ABrandner AfalseStructural dataset from microsecond-long simulations of yeast mitofusin Fzo1 in the context of membrane docking.In this work we present a novel set of possible auto-oligomerisation states of yeast protein Fzo1 in the context of membrane docking. The dataset reports atomistic models and trajectories derived from a molecular dynamics study of the yeast mitofusin Fzo1, residues 101-855. The initial modelling was followed by coarse-grained molecular dynamics simulation to evaluate the stability and the dynamics of each structural model in a solvated membrane environment. Simulations were run for 1 μs and collected with GROMACS v5.0.4 using the martini v2.1 force field. For each structural model, the dataset comprises the production phase under semi-isotropic condition at 1 bar, 310 K and 150 mn NaCl. The integration step is 20 fs and coordinates have been saved every 1 ns. Each trajectory is associated 2019-01-01T00:00:00Z2019 Oct2025-06-01T03:53:00.312Z2025-06-01T03:53:00.312ZS-EPMC68118713166723210.1016/j.dib.2019.104460