{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T09:58:16Z","timestamp":1790848696749,"version":"4.1.0"},"reference-count":59,"publisher":"Royal Society of Chemistry (RSC)","issue":"37","license":[{"start":{"date-parts":[[2027,9,10]],"date-time":"2027-09-10T00:00:00Z","timestamp":1820534400000},"content-version":"am","delay-in-days":617,"URL":"http:\/\/rsc.li\/journals-terms-of-use"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22388101"],"award-info":[{"award-number":["22388101"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2024YFA1208300"],"award-info":[{"award-number":["2024YFA1208300"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["rsc.org"],"crossmark-restriction":true},"short-container-title":["Phys. Chem. Chem. Phys."],"abstract":"<jats:p>We derive coarse-grained interaction potentials for graphdiyne\u2013protein systems by first constructing all-atom force fields, thereby enabling large-scale simulations of protein corona formation on graphdiyne nanomaterials.<\/jats:p>","DOI":"10.1039\/d6cp01938b","type":"journal-article","created":{"date-parts":[[2026,9,10]],"date-time":"2026-09-10T09:40:19Z","timestamp":1789033219000},"page":"22988-22995","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Mechanism of hydroxylation-regulated protein corona on graphdiyne\n                    <i>via<\/i>\n                    coarse-grained potential"],"prefix":"10.1039","volume":"28","author":[{"ORCID":"https:\/\/orcid.org\/0009-0003-9427-9777","authenticated-orcid":false,"given":"Xiaolin","family":"Song","sequence":"first","affiliation":[{"name":"Laboratory of Theoretical and Computational Nanoscience, National Center for Nanoscience and Technology of China, Beijing 100190, China"},{"name":"University of Chinese Academy of Sciences, Beijing 100049, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6040-6219","authenticated-orcid":false,"given":"Jia-Jia","family":"Zheng","sequence":"additional","affiliation":[{"name":"Laboratory of Theoretical and Computational Nanoscience, National Center for Nanoscience and Technology of China, Beijing 100190, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1636-6336","authenticated-orcid":false,"given":"Xingfa","family":"Gao","sequence":"additional","affiliation":[{"name":"Laboratory of Theoretical and Computational Nanoscience, National Center for Nanoscience and Technology of China, Beijing 100190, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2026]]},"reference":[{"issue":"19","key":"D6CP01938B\/cit1\/1","doi-asserted-by":"crossref","first-page":"3256","DOI":"10.1039\/b922733d","volume":"46","author":"Li","year":"2010","journal-title":"Chem. Commun."},{"issue":"18","key":"D6CP01938B\/cit2\/1","doi-asserted-by":"crossref","first-page":"1606755","DOI":"10.1002\/adma.201606755","volume":"29","author":"Parvin","year":"2017","journal-title":"Adv. Mater."},{"key":"D6CP01938B\/cit3\/1","doi-asserted-by":"crossref","first-page":"112996","DOI":"10.1016\/j.comptc.2020.112996","volume":"1190","author":"Xu","year":"2020","journal-title":"Comput. Theor. Chem."},{"key":"D6CP01938B\/cit4\/1","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1016\/j.aca.2020.10.044","volume":"1141","author":"Wang","year":"2021","journal-title":"Anal. Chim. Acta"},{"issue":"31","key":"D6CP01938B\/cit5\/1","doi-asserted-by":"crossref","first-page":"3667","DOI":"10.1360\/TB-2022-0488","volume":"67","author":"Song","year":"2022","journal-title":"Chin. Sci. Bull."},{"issue":"10","key":"D6CP01938B\/cit6\/1","doi-asserted-by":"crossref","first-page":"8436","DOI":"10.1021\/acsami.7b17219","volume":"10","author":"Jin","year":"2018","journal-title":"ACS Appl. Mater. Interfaces"},{"issue":"24","key":"D6CP01938B\/cit7\/1","doi-asserted-by":"crossref","first-page":"2100556","DOI":"10.1002\/adma.202100556","volume":"33","author":"Zhou","year":"2021","journal-title":"Adv. Mater."},{"issue":"1","key":"D6CP01938B\/cit8\/1","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1038\/s41536-021-00142-2","volume":"6","author":"Qian","year":"2021","journal-title":"npj Regener. Med."},{"issue":"24","key":"D6CP01938B\/cit9\/1","doi-asserted-by":"crossref","first-page":"15607","DOI":"10.1021\/acsnano.4c01037","volume":"18","author":"Shao","year":"2024","journal-title":"ACS Nano"},{"issue":"1","key":"D6CP01938B\/cit10\/1","doi-asserted-by":"crossref","first-page":"5657","DOI":"10.1038\/s41467-022-33410-w","volume":"13","author":"Wang","year":"2022","journal-title":"Nat. Commun."},{"key":"D6CP01938B\/cit11\/1","doi-asserted-by":"crossref","first-page":"101543","DOI":"10.1016\/j.nantod.2022.101543","volume":"45","author":"Guo","year":"2022","journal-title":"Nano Today"},{"issue":"14","key":"D6CP01938B\/cit12\/1","doi-asserted-by":"crossref","first-page":"6005","DOI":"10.1021\/acs.nanolett.1c01048","volume":"21","author":"Guo","year":"2021","journal-title":"Nano Lett."},{"issue":"34","key":"D6CP01938B\/cit13\/1","doi-asserted-by":"crossref","first-page":"2001440","DOI":"10.1002\/smll.202001440","volume":"16","author":"Zhu","year":"2020","journal-title":"Small"},{"issue":"30","key":"D6CP01938B\/cit14\/1","doi-asserted-by":"crossref","first-page":"13072","DOI":"10.1039\/D1NR02473F","volume":"13","author":"Peng","year":"2021","journal-title":"Nanoscale"},{"issue":"36","key":"D6CP01938B\/cit15\/1","doi-asserted-by":"crossref","first-page":"2301838","DOI":"10.1002\/smll.202301838","volume":"19","author":"Hajipour","year":"2023","journal-title":"Small"},{"key":"D6CP01938B\/cit16\/1","doi-asserted-by":"crossref","first-page":"290","DOI":"10.1016\/j.ijbiomac.2020.12.108","volume":"169","author":"Kopac","year":"2021","journal-title":"Int. J. Biol. Macromol."},{"issue":"11","key":"D6CP01938B\/cit17\/1","doi-asserted-by":"crossref","first-page":"1419","DOI":"10.3390\/pharmaceutics16111419","volume":"16","author":"Lee","year":"2024","journal-title":"Pharmaceutics"},{"issue":"3","key":"D6CP01938B\/cit18\/1","doi-asserted-by":"crossref","first-page":"1874","DOI":"10.1021\/acs.jctc.0c01172","volume":"17","author":"Zheng","year":"2021","journal-title":"J. Chem. Theory Comput."},{"issue":"19","key":"D6CP01938B\/cit19\/1","doi-asserted-by":"crossref","first-page":"7525","DOI":"10.1021\/acs.jcim.4c00434","volume":"64","author":"Rouse","year":"2024","journal-title":"J. Chem. Inf. Model."},{"issue":"8","key":"D6CP01938B\/cit20\/1","doi-asserted-by":"crossref","first-page":"084003","DOI":"10.1088\/1361-651X\/ab3b6e","volume":"27","author":"Power","year":"2019","journal-title":"Modell. Simul. Mater. Sci. Eng."},{"issue":"24","key":"D6CP01938B\/cit21\/1","doi-asserted-by":"crossref","first-page":"13473","DOI":"10.1039\/D1CP01116B","volume":"23","author":"Rouse","year":"2021","journal-title":"Phys. Chem. Chem. Phys."},{"issue":"23","key":"D6CP01938B\/cit22\/1","doi-asserted-by":"crossref","first-page":"e23068","DOI":"10.1002\/adfm.202523068","volume":"36","author":"Song","year":"2026","journal-title":"Adv. Funct. Mater."},{"key":"D6CP01938B\/cit23\/1","first-page":"1","volume-title":"Radiation Effects in Solids, Dordrecht","author":"Voter","year":"2007","unstructured":"A. F.Voter ,  Introduction to the Kinetic Monte Carlo Method , in  Radiation Effects in Solids, Dordrecht , ed.  K. E. Sickafus ,  E. A. Kotomin  and  B. P. Uberuaga ,  Springer ,  Netherlands ,  2007 ,  pp 1\u201323"},{"issue":"20","key":"D6CP01938B\/cit24\/1","doi-asserted-by":"crossref","first-page":"4457","DOI":"10.1016\/j.bpj.2021.09.002","volume":"120","author":"Rouse","year":"2021","journal-title":"Biophys. J."},{"issue":"9","key":"D6CP01938B\/cit25\/1","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","volume":"25","author":"Wang","year":"2004","journal-title":"J. Comput. Chem."},{"issue":"1","key":"D6CP01938B\/cit26\/1","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1021\/ct200731v","volume":"8","author":"Caleman","year":"2012","journal-title":"J. Chem. Theory Comput."},{"issue":"10","key":"D6CP01938B\/cit27\/1","doi-asserted-by":"crossref","first-page":"4239","DOI":"10.1021\/acs.jcim.9b00552","volume":"59","author":"Zhu","year":"2019","journal-title":"J. Chem. Inf. Model."},{"issue":"12","key":"D6CP01938B\/cit28\/1","doi-asserted-by":"crossref","first-page":"11761","DOI":"10.1021\/acsnano.5b03592","volume":"9","author":"Comer","year":"2015","journal-title":"ACS Nano"},{"issue":"35","key":"D6CP01938B\/cit29\/1","doi-asserted-by":"crossref","first-page":"9101","DOI":"10.1039\/c2sm25870f","volume":"8","author":"Pandey","year":"2012","journal-title":"Soft Matter"},{"issue":"24","key":"D6CP01938B\/cit30\/1","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","volume":"50","author":"Bl\u00f6chl","year":"1994","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"3","key":"D6CP01938B\/cit31\/1","doi-asserted-by":"crossref","first-page":"1758","DOI":"10.1103\/PhysRevB.59.1758","volume":"59","author":"Kresse","year":"1999","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"1","key":"D6CP01938B\/cit32\/1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/0927-0256(96)00008-0","volume":"6","author":"Kresse","year":"1996","journal-title":"Comput. Mater. Sci."},{"issue":"16","key":"D6CP01938B\/cit33\/1","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","volume":"54","author":"Kresse","year":"1996","journal-title":"Phys. Rev. B: Condens. Matter Mater. Phys."},{"issue":"18","key":"D6CP01938B\/cit34\/1","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"D6CP01938B\/cit35\/1","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1063\/1.3382344","volume":"132","author":"Grimme","year":"2010","journal-title":"J. Chem. Phys."},{"issue":"7","key":"D6CP01938B\/cit36\/1","doi-asserted-by":"crossref","first-page":"1456","DOI":"10.1002\/jcc.21759","volume":"32","author":"Grimme","year":"2011","journal-title":"J. Comput. Chem."},{"issue":"7","key":"D6CP01938B\/cit38\/1","doi-asserted-by":"crossref","first-page":"5648","DOI":"10.1063\/1.464913","volume":"98","author":"Becke","year":"1993","journal-title":"J. Chem. Phys."},{"issue":"1","key":"D6CP01938B\/cit39\/1","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1080\/00268977400100171","volume":"27","author":"Hariharan","year":"1974","journal-title":"Mol. Phys."},{"issue":"4","key":"D6CP01938B\/cit40\/1","doi-asserted-by":"crossref","first-page":"2193","DOI":"10.1063\/1.455064","volume":"89","author":"Petersson","year":"1988","journal-title":"J. Chem. Phys."},{"key":"D6CP01938B\/cit41\/1","first-page":"8","volume":"161","author":"Lu","year":"2024","journal-title":"J. Chem. Phys."},{"issue":"5","key":"D6CP01938B\/cit42\/1","doi-asserted-by":"crossref","first-page":"580","DOI":"10.1002\/jcc.22885","volume":"33","author":"Lu","year":"2012","journal-title":"J. Comput. Chem."},{"issue":"36","key":"D6CP01938B\/cit43\/1","doi-asserted-by":"crossref","first-page":"20323","DOI":"10.1039\/D1CP02805G","volume":"23","author":"Zhang","year":"2021","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01938B\/cit44\/1","author":"Lu","unstructured":"T.Lu , Sobtop, Version [2026.1.16], 2026,  https:\/\/sobereva.com\/soft\/Sobtop  (accessed 2026 24 Apr)"},{"issue":"1","key":"D6CP01938B\/cit45\/1","doi-asserted-by":"crossref","first-page":"416","DOI":"10.1021\/acs.jpcb.0c08622","volume":"125","author":"Saeedimasine","year":"2021","journal-title":"Phys. Chem. B"},{"issue":"1","key":"D6CP01938B\/cit46\/1","doi-asserted-by":"crossref","first-page":"367","DOI":"10.1186\/1756-0500-5-367","volume":"5","author":"Sousa da Silva","year":"2012","journal-title":"BMC Res. Notes"},{"issue":"0","key":"D6CP01938B\/cit47\/1","doi-asserted-by":"crossref","first-page":"306","DOI":"10.1039\/D2FD00155A","volume":"244","author":"Rouse","year":"2023","journal-title":"Faraday Discuss."},{"issue":"2","key":"D6CP01938B\/cit48\/1","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J. Chem. Phys."},{"issue":"12","key":"D6CP01938B\/cit49\/1","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","volume":"18","author":"Hess","year":"1997","journal-title":"J. Comput. Chem."},{"issue":"5","key":"D6CP01938B\/cit50\/1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1063\/1.4822862","volume":"3","author":"Ferrenberg","year":"1989","journal-title":"Comput. Phys."},{"issue":"8","key":"D6CP01938B\/cit51\/1","doi-asserted-by":"crossref","first-page":"1011","DOI":"10.1002\/jcc.540130812","volume":"13","author":"Kumar","year":"1992","journal-title":"J. Comput. Chem."},{"issue":"32","key":"D6CP01938B\/cit52\/1","doi-asserted-by":"crossref","first-page":"18126","DOI":"10.1021\/acs.jpcc.5b02670","volume":"119","author":"Brandt","year":"2015","journal-title":"Phys. Chem. C"},{"key":"D6CP01938B\/cit53\/1","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-15382-7","volume-title":"Modeling of Nanotoxicity: Molecular Interactions of Nanomaterials with Bionanomachines","author":"Zhou","year":"2015","unstructured":"R.Zhou ,  Modeling of Nanotoxicity: Molecular Interactions of Nanomaterials with Bionanomachines ,  Springer ,  Cham ,  2015 10.1007\/978-3-319-15382-7"},{"issue":"13","key":"D6CP01938B\/cit54\/1","doi-asserted-by":"crossref","first-page":"11095","DOI":"10.1021\/la100716z","volume":"26","author":"Trudeau","year":"2010","journal-title":"Langmuir"},{"issue":"2","key":"D6CP01938B\/cit55\/1","doi-asserted-by":"crossref","first-page":"840","DOI":"10.1039\/C4CP04696J","volume":"17","author":"Zhao","year":"2015","journal-title":"Phys. Chem. Chem. Phys."},{"key":"D6CP01938B\/cit56\/1","doi-asserted-by":"crossref","first-page":"103010","DOI":"10.1016\/j.copbio.2023.103010","volume":"84","author":"Tran","year":"2023","journal-title":"Curr. Opin. Biotechnol."},{"issue":"11","key":"D6CP01938B\/cit57\/1","doi-asserted-by":"crossref","first-page":"130448","DOI":"10.1016\/j.bbagen.2023.130448","volume":"1867","author":"Bauer-Smith","year":"2023","journal-title":"Biochim. Biophys. Acta, Gen. Subj."},{"issue":"1","key":"D6CP01938B\/cit58\/1","doi-asserted-by":"crossref","first-page":"10400","DOI":"10.1038\/s41467-024-54810-0","volume":"15","author":"Li","year":"2024","journal-title":"Nat. Commun."},{"key":"D6CP01938B\/cit59\/1","volume-title":"Cellular and Molecular Toxicology of Nanoparticles","author":"Saquib","year":"2018","unstructured":"Q.Saquib ,  M.Faisal ,  A. A.Al-Khedhairy  and  A. A.Alatar ,  Cellular and Molecular Toxicology of Nanoparticles ,  Springer International Publishing ,  2018"},{"key":"D6CP01938B\/cit60\/1","doi-asserted-by":"crossref","first-page":"189","DOI":"10.12688\/f1000research.7931.1","volume":"5","author":"Mitternacht","year":"2016","journal-title":"F1000Research"}],"container-title":["Physical Chemistry Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/pubs.rsc.org\/CP\/article-pdf\/doi\/10.1039\/D6CP01938B\/0\/D6CP01938B.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,10,1]],"date-time":"2026-10-01T09:24:26Z","timestamp":1790846666000},"score":1,"resource":{"primary":{"URL":"http:\/\/pubs.rsc.org\/CP\/article-lookup\/doi\/10.1039\/D6CP01938B"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026]]},"references-count":59,"journal-issue":{"issue":"37","published-print":{"date-parts":[[2026,9,30]]}},"URL":"https:\/\/doi.org\/10.1039\/d6cp01938b","relation":{},"ISSN":["1463-9076","1463-9084"],"issn-type":[{"value":"1463-9076","type":"print"},{"value":"1463-9084","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026]]}}}