{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["129(9)"],"submitter":["Lutsyk V"],"pubmed_abstract":["Hyaluronan, also known as hyaluronic acid, is a large glycosaminoglycan composed of repeating disaccharide units. It plays a crucial role in providing structural support, hydration, and facilitating cellular processes in connective tissue, skin, and the extracellular matrix in biological systems. We present a coarse-grained (CG) model of hyaluronic acid (HA) and its constituent residues, <i>N</i>-acetyl-d-glucosamine (GlcNAc) and glucuronic acid (GlcA), designed to be compatible with the Martini 3 force field. The model was validated against atomistic molecular dynamics simulations following standard procedures to ensure the accuracy of bonded interactions and, in the case of GlcNAc, the free energies of transfer between octanol and water. For the final HA model, we investigated its proper"],"journal":["The journal of physical chemistry. B"],"pagination":["2408-2425"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11891902"],"repository":["biostudies-literature"],"pubmed_title":["Extending the Martini 3 Coarse-Grained Force Field to Hyaluronic Acid."],"pmcid":["PMC11891902"],"pubmed_authors":["Lutsyk V","Plazinski W"],"additional_accession":[]},"is_claimable":false,"name":"Extending the Martini 3 Coarse-Grained Force Field to Hyaluronic Acid.","description":"Hyaluronan, also known as hyaluronic acid, is a large glycosaminoglycan composed of repeating disaccharide units. It plays a crucial role in providing structural support, hydration, and facilitating cellular processes in connective tissue, skin, and the extracellular matrix in biological systems. We present a coarse-grained (CG) model of hyaluronic acid (HA) and its constituent residues, <i>N</i>-acetyl-d-glucosamine (GlcNAc) and glucuronic acid (GlcA), designed to be compatible with the Martini 3 force field. The model was validated against atomistic molecular dynamics simulations following standard procedures to ensure the accuracy of bonded interactions and, in the case of GlcNAc, the free energies of transfer between octanol and water. For the final HA model, we investigated its proper","dates":{"release":"2025-01-01T00:00:00Z","publication":"2025 Mar","modification":"2026-05-18T03:13:33.861Z","creation":"2025-04-04T00:21:50.676Z"},"accession":"S-EPMC11891902","cross_references":{"pubmed":["39988846"],"doi":["10.1021/acs.jpcb.4c08043"]}}