{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["26"],"submitter":["Brandner A"],"funding":["Agence Nationale de la Recherche","Grand Équipement National De Calcul Intensif"],"pubmed_abstract":["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 "],"journal":["Data in brief"],"pagination":["104460"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC6811871"],"repository":["biostudies-literature"],"pubmed_title":["Structural dataset from microsecond-long simulations of yeast mitofusin Fzo1 in the context of membrane docking."],"pmcid":["PMC6811871"],"pubmed_authors":["Cohen MM","De Vecchis D","Baaden M","Taly A","Brandner A"],"additional_accession":[]},"is_claimable":false,"name":"Structural dataset from microsecond-long simulations of yeast mitofusin Fzo1 in the context of membrane docking.","description":"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 ","dates":{"release":"2019-01-01T00:00:00Z","publication":"2019 Oct","modification":"2025-06-01T03:53:00.312Z","creation":"2025-06-01T03:53:00.312Z"},"accession":"S-EPMC6811871","cross_references":{"pubmed":["31667232"],"doi":["10.1016/j.dib.2019.104460"]}}