{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Souza PCT"],"funding":["Intramural NIH HHS","Dutch Research Council (NWO)","Engineering and Physical Sciences Research Council"],"pagination":["382-388"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC12554258"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["18(4)"],"pubmed_abstract":["The coarse-grained Martini force field is widely used in biomolecular simulations. Here we present the refined model, Martini 3 ( http://cgmartini.nl ), with an improved interaction balance, new bead types and expanded ability to include specific interactions representing, for example, hydrogen bonding and electronic polarizability. The updated model allows more accurate predictions of molecular packing and interactions in general, which is exemplified with a vast and diverse set of applications, ranging from oil/water partitioning and miscibility data to complex molecular systems, involving protein-protein and protein-lipid interactions and material science applications as ionic liquids and aedamers."],"journal":["Nature methods"],"pubmed_title":["Martini 3: a general purpose force field for coarse-grained molecular dynamics."],"pmcid":["PMC12554258"],"funding_grant_id":["Z99 DK999999","ZIA DK075104","022.005.006","EP/P021123/1"],"pubmed_authors":["Javanainen M","Nieto V","Bruininks BMH","Thallmair S","Domanski J","Khan HM","Patmanidis I","de Vries AH","Abdizadeh H","Faustino I","Vattulainen I","Souza PCT","Reuter N","Barnoud J","Periole X","Grunewald F","Corradi V","Best RB","Melcr J","Martinez-Seara H","Wassenaar TA","Marrink SJ","Monticelli L","Alessandri R","Kroon PC","Tieleman DP"],"additional_accession":[]},"is_claimable":false,"name":"Martini 3: a general purpose force field for coarse-grained molecular dynamics.","description":"The coarse-grained Martini force field is widely used in biomolecular simulations. Here we present the refined model, Martini 3 ( http://cgmartini.nl ), with an improved interaction balance, new bead types and expanded ability to include specific interactions representing, for example, hydrogen bonding and electronic polarizability. The updated model allows more accurate predictions of molecular packing and interactions in general, which is exemplified with a vast and diverse set of applications, ranging from oil/water partitioning and miscibility data to complex molecular systems, involving protein-protein and protein-lipid interactions and material science applications as ionic liquids and aedamers.","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Apr","modification":"2026-06-05T05:19:26.311Z","creation":"2026-06-04T03:06:20.607Z"},"accession":"S-EPMC12554258","cross_references":{"pubmed":["33782607"],"doi":["10.1038/s41592-021-01098-3"]}}