{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,22]],"date-time":"2026-06-22T08:53:59Z","timestamp":1782118439210,"version":"3.54.5"},"reference-count":71,"publisher":"American Chemical Society (ACS)","issue":"12","license":[{"start":{"date-parts":[[2026,4,7]],"date-time":"2026-04-07T00:00:00Z","timestamp":1775520000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100005416","name":"Norges Forskningsr?d","doi-asserted-by":"publisher","award":["262695"],"award-info":[{"award-number":["262695"]}],"id":[{"id":"10.13039\/501100005416","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100003593","name":"Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100003593","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo","doi-asserted-by":"publisher","award":["2022\/07231-7"],"award-info":[{"award-number":["2022\/07231-7"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001807","name":"Funda??o de Amparo ? Pesquisa do Estado de S?o Paulo","doi-asserted-by":"publisher","award":["2023\/02556-8"],"award-info":[{"award-number":["2023\/02556-8"]}],"id":[{"id":"10.13039\/501100001807","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2026,6,22]]},"DOI":"10.1021\/acs.jcim.6c00729","type":"journal-article","created":{"date-parts":[[2026,4,7]],"date-time":"2026-04-07T21:53:43Z","timestamp":1775598823000},"page":"7138-7153","source":"Crossref","is-referenced-by-count":0,"title":["Exploring the Interactions Between Methyl Methacrylate Polymers and the Bacterial Outer Membrane via Coarse-Grained Molecular Dynamics Simulations"],"prefix":"10.1021","volume":"66","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-0166-4629","authenticated-orcid":true,"given":"Eduardo R.","family":"Almeida","sequence":"first","affiliation":[{"name":"Department of Chemistry, FFCLRP","place":["Ribeir\u00e3o Preto, Brazil"]},{"name":"University of S\u00e3o Paulo","place":["Ribeir\u00e3o Preto, Brazil"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2472-0099","authenticated-orcid":true,"given":"Vinicius","family":"Firmino dos Santos","sequence":"additional","affiliation":[{"name":"Department of Chemistry, FFCLRP","place":["Ribeir\u00e3o Preto, Brazil"]},{"name":"University of S\u00e3o Paulo","place":["Ribeir\u00e3o Preto, Brazil"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2646-8501","authenticated-orcid":true,"given":"Madeleine","family":"Ramstedt","sequence":"additional","affiliation":[{"name":"Department of Chemistry","place":["Ume\u00e5, Sweden"]},{"name":"Ume\u00e5 University","place":["Ume\u00e5, Sweden"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-5891-6906","authenticated-orcid":true,"given":"Thereza A.","family":"Soares","sequence":"additional","affiliation":[{"name":"Department of Chemistry, FFCLRP","place":["Ribeir\u00e3o Preto, Brazil"]},{"name":"University of S\u00e3o Paulo","place":["Ribeir\u00e3o Preto, Brazil"]},{"name":"Hylleraas Centre for Quantum Molecular Sciences","place":["Oslo, Norway"]},{"name":"University of Oslo","place":["Oslo, Norway"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,4,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.macromol.7b00450"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.4c18335"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00314"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/cr500252u"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1016\/j.cej.2023.143546"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.colcom.2018.02.002"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.biomac.9b01060"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1039\/C5SM01962A"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1002\/9781119455042.ch19"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.progpolymsci.2016.09.010"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/D2CS00558A"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1039\/c3bm00197k"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acsabm.1c01006"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acsapm.3c02150"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acsapm.0c00686"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1049\/bsb2.12071"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/D0TB00520G"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.0c00165"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.3c01552"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/j.actbio.2022.02.003"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.3389\/fmicb.2019.02051"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-physchem-103019-033434"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/ct300534j"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1039\/C3CC46918B"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/ct500075h"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.8b00460"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.macromol.5c00273"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1038\/s41592-021-01098-3"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.8b04268"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.polymer.2008.10.025"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.9b09885"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/jacsau.2c00638"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/acs.molpharmaceut.3c00379"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2020.604770"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.4c01960"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.3c00471"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.cis.2022.102603"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.aaz6333"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.3389\/fcell.2020.00586"},{"key":"ref40\/cit40","volume-title":"Introduction to Computational Chemistry","author":"Jensen F.","year":"2007","edition":"2"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1063\/1.328693"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.469273"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.06.003"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.4c00134"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c00880"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/jp9110794"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1002\/wcms.66"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130812"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/ct100494z"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/1047-8477(90)90093-R"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1111\/j.1432-1033.1993.tb18409.x"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(93)81488-7"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2018.03.010"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jp8027963"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/ct300084v"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1002\/admi.201500257"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.memsci.2023.122032"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1039\/C5PY00197H"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.3c02492"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.2c00512"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/acs.langmuir.8b01832"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1002\/mabi.202400194"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.8b02137"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/bc060077y"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1039\/D1EN01156A"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1016\/j.porgcoat.2024.108214"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1371\/journal.ppat.1005057"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcis.2023.01.051"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00729","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.6c00729","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,22]],"date-time":"2026-06-22T08:41:29Z","timestamp":1782117689000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.6c00729"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,4,7]]},"references-count":71,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2026,6,22]]}},"alternative-id":["10.1021\/acs.jcim.6c00729"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.6c00729","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,4,7]]}}}