{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T00:14:20Z","timestamp":1788308060388,"version":"build-2803163510"},"reference-count":46,"publisher":"Oxford University Press (OUP)","issue":"10","license":[{"start":{"date-parts":[[2026,8,22]],"date-time":"2026-08-22T00:00:00Z","timestamp":1787356800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/pages\/standard-publication-reuse-rights"}],"funder":[{"DOI":"10.13039\/501100004281","name":"National Science Centre of Poland","doi-asserted-by":"crossref","award":["UMO-2023\/49\/B\/ST4\/00041"],"award-info":[{"award-number":["UMO-2023\/49\/B\/ST4\/00041"]}],"id":[{"id":"10.13039\/501100004281","id-type":"DOI","asserted-by":"crossref"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2026,8,23]]},"abstract":"<jats:title>Abstract<\/jats:title>\n                  <jats:p>Glycosaminoglycans, linear periodic anionic polysaccharides composed of repeating disaccharide units, are highly heterogeneous with respect to their chemical composition, sulfation patterns, conformational, dynamic and functional properties. The \u201csulfation code,\u201d which links specific sulfation patterns of these molecules to their biological function, is a key concept for understanding their structure\u2013function relationships. However, both experimental and computational approaches face significant challenges in deciphering this code. In this computational study, we focus on fibroblast growth factor-glycosaminoglycan interactions, which play crucial roles in numerous biologically relevant processes. First, we evaluate the sensitivity and predictive power of currently available computational protocols for studying these systems. We then rigorously investigate the effects of heparin 6-O-desulfation on its interactions with several fibroblast growth factors. We conclude that, depending on the 6-O-sulfation pattern and the length of the oligosaccharide, either predominantly electrostatic interactions or a more complex interplay between electrostatic and hydrophobic interactions determines the specificity of the resulting protein-glycosaminoglycan complex. Finally, we demonstrate that a previously developed coarse-grained model successfully reproduces both the structural and thermodynamic properties of the analysed molecular systems. The results obtained in this study may contribute to the understanding of the fundamental mechanisms underlying protein-glycosaminoglycan interactions and represent a further step toward deciphering the glycosaminoglycan \u201csulfation code.\u201d<\/jats:p>","DOI":"10.1093\/glycob\/cwag067","type":"journal-article","created":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T11:47:59Z","timestamp":1787226479000},"source":"Crossref","is-referenced-by-count":0,"title":["Understanding fibroblast growth factor\u2013heparan sulfate recognition by molecular dynamics approaches"],"prefix":"10.1093","volume":"36","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-5166-4849","authenticated-orcid":false,"given":"Sergey A","family":"Samsonov","sequence":"first","affiliation":[{"name":"Faculty of Chemistry, University of Gda\u0144sk , Wita Stwosza 63, 80-308 Gda\u0144sk ,","place":["Poland"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Adam","family":"Sieradzan","sequence":"additional","affiliation":[{"name":"Faculty of Chemistry, University of Gda\u0144sk , Wita Stwosza 63, 80-308 Gda\u0144sk ,","place":["Poland"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Avner","family":"Yayon","sequence":"additional","affiliation":[{"name":"Gly Com SA , Viale Carlo Cattaneo 1, 6900 Lugano ,","place":["Switzerland"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"286","published-online":{"date-parts":[[2026,8,22]]},"reference":[{"issue":"8016","key":"2026090119312287100_ref1","doi-asserted-by":"publisher","first-page":"493","DOI":"10.1038\/s41586-024-07487-w","article-title":"Accurate structure prediction of biomolecular interactions with AlphaFold 3","volume":"630","author":"Abramson","year":"2024","journal-title":"Nature."},{"issue":"2","key":"2026090119312287100_ref2","doi-asserted-by":"crossref","first-page":"2622","DOI":"10.3390\/ijms15022622","article-title":"Multipose binding in molecular docking","volume":"15","author":"Atkovska","year":"2014","journal-title":"Int J Mol Sci"},{"issue":"1","key":"2026090119312287100_ref3","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1016\/S0021-9258(17)42321-0","article-title":"Differential structural requirements of heparin and heparan sulfate proteoglycans that promote binding of basic fibroblast growth factor to its receptor","volume":"269","author":"Aviezer","year":"1994","journal-title":"J Biol Chem"},{"issue":"3","key":"2026090119312287100_ref4","doi-asserted-by":"crossref","first-page":"427","DOI":"10.1007\/s10719-016-9745-4","article-title":"Computational drill down on FGF1-heparin interactions through methodological evaluation","volume":"34","author":"Babik","year":"2017","journal-title":"Glycoconj J"},{"issue":"1","key":"2026090119312287100_ref5","doi-asserted-by":"publisher","first-page":"575","DOI":"10.1146\/annurev.bi.58.070189.003043","article-title":"The heparin-binding (fibroblast) growth factor family of proteins","volume":"58","author":"Burgess","year":"1989","journal-title":"Annu Rev Biochem"},{"key":"2026090119312287100_ref6","volume-title":"Amber 2020","author":"Case","year":"2020"},{"issue":"1","key":"2026090119312287100_ref7","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1093\/glycob\/cwy084","article-title":"A pipeline to translate glycosaminoglycan sequences into 3D models. 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