{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Pedersen KB"],"funding":["European Research Council"],"pagination":["1598-1610"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12464760"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["11(9)"],"pubmed_abstract":["Lipid membranes are central to cellular life. Complementing experiments, computational modeling has been essential in unraveling complex lipid-biomolecule interactions, crucial in both academia and industry. The Martini model, a coarse-grained force field for efficient molecular dynamics simulations, is widely used to study membrane phenomena but has faced limitations, particularly in capturing realistic lipid phase behavior. Here, we present refined Martini 3 lipid models with a mapping scheme that distinguishes lipid tails that differ by just two carbon atoms, enhancing the structural resolution and thermodynamic accuracy of model membrane systems including ternary mixtures. The expanded Martini lipid library includes thousands of models, enabling simulations of complex and biologically "],"journal":["ACS central science"],"pubmed_title":["The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior."],"pmcid":["PMC12464760"],"funding_grant_id":["101053661"],"pubmed_authors":["Bennett WFD","Kim H","Crowley J","Carpenter TS","Andreasen MD","Thallmair S","Schiott B","Fabian B","Khan HM","Melo MN","Brasnett C","Souza PCT","Kjolbye LR","Ingolfsson HI","Ozturk TN","Pavan GM","Ramirez-Echemendia DP","Corradi V","Melcr J","Launay G","Empereur-Mot C","Wassenaar TA","Marrink SJ","Monticelli L","Borges-Araujo L","Cino EA","Borges-Araujo AC","Lolicato F","Tieleman DP","Pedersen KB"],"additional_accession":[]},"is_claimable":false,"name":"The Martini 3 Lipidome: Expanded and Refined Parameters Improve Lipid Phase Behavior.","description":"Lipid membranes are central to cellular life. Complementing experiments, computational modeling has been essential in unraveling complex lipid-biomolecule interactions, crucial in both academia and industry. The Martini model, a coarse-grained force field for efficient molecular dynamics simulations, is widely used to study membrane phenomena but has faced limitations, particularly in capturing realistic lipid phase behavior. Here, we present refined Martini 3 lipid models with a mapping scheme that distinguishes lipid tails that differ by just two carbon atoms, enhancing the structural resolution and thermodynamic accuracy of model membrane systems including ternary mixtures. The expanded Martini lipid library includes thousands of models, enabling simulations of complex and biologically ","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Sep","modification":"2026-06-03T21:41:18.827Z","creation":"2026-05-02T03:08:16.854Z"},"accession":"S-EPMC12464760","cross_references":{"pubmed":["41019112"],"doi":["10.1021/acscentsci.5c00755"]}}