{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,20]],"date-time":"2026-06-20T02:54:38Z","timestamp":1781924078641,"version":"3.54.5"},"reference-count":98,"publisher":"American Chemical Society (ACS)","issue":"40","license":[{"start":{"date-parts":[[2022,9,30]],"date-time":"2022-09-30T00:00:00Z","timestamp":1664496000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2022,9,30]],"date-time":"2022-09-30T00:00:00Z","timestamp":1664496000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2022,9,30]],"date-time":"2022-09-30T00:00:00Z","timestamp":1664496000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100015539","name":"Australian Government","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100015539","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100011025","name":"Government of Western Australia","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100011025","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. B"],"published-print":{"date-parts":[[2022,10,13]]},"DOI":"10.1021\/acs.jpcb.2c04743","type":"journal-article","created":{"date-parts":[[2022,9,30]],"date-time":"2022-09-30T21:34:26Z","timestamp":1664573666000},"page":"7916-7933","source":"Crossref","is-referenced-by-count":16,"title":["Characterization of the Conformations of Amyloid Beta 42 in Solution That May Mediate Its Initial Hydrophobic Aggregation"],"prefix":"10.1021","volume":"126","author":[{"given":"Krushna","family":"Sonar","sequence":"first","affiliation":[{"name":"Curtin Medical School, Curtin Health Innovation Research Institute, Curtin Institute for Computation, Curtin University, P. O. Box U1987, Perth, Western Australia6845, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9191-5622","authenticated-orcid":true,"given":"Ricardo L.","family":"Mancera","sequence":"additional","affiliation":[{"name":"Curtin Medical School, Curtin Health Innovation Research Institute, Curtin Institute for Computation, Curtin University, P. O. Box U1987, Perth, Western Australia6845, Australia"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2022,9,30]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1227\/00006123-197905000-00011"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.3389\/fphys.2020.01056"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/nm0197-67"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/383710a0"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1002\/1873-3468.12590"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.m201750200"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/399a023"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1002\/ana.410370303"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.222681699"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/s0928-4257(98)80035-1"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1618657114"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.m111.264473"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1038\/416535a"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1042\/bj20110750"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1186\/alzrt226"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/s0006-3495(98)77812-9"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.262663499"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2003.10.044"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1038\/nsmb.2991"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.3390\/molecules23092142"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/bi00139a028"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1006\/jsbi.2000.4288"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/bi00015a033"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/ja036813f"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1039\/c9cs00199a"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1046\/j.1432-1033.2002.03271.x"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2001.4970"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2017.03.007"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1110\/ps.051762406"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2006.11.015"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2008.09.039"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2013.06.021"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2007.02.093"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1110\/ps.051762406"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1038\/srep15449"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.0c01122"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1021\/ja8017303"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1110\/ps.051915806"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/cn300073s"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-020-66602-9"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.bmc.2011.03.010"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0607440104"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/jp067280a"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/ja027972m"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/ja011638t"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0134091"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1002\/prot.26432"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1002\/prot.24350"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0186219"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1039\/c8cp00067k"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.5b09379"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1021\/jp508971m"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.09.018"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1063\/1.448118"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1002\/(sici)1096-987x(199709)18:12<1463::aid-jcc4>3.0.co;2-h"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/jp067873l"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.202427399"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/jp4045995"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1088\/0034-4885\/71\/12\/126601"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2017.04.009"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540130812"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pcbi.1000452"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1007\/s10858-011-9478-4"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1007\/s10858-011-9472-x"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1007\/s10858-011-9508-2"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1500851112"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2010.10.015"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1002\/pro.3064"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1038\/s43588-020-00003-w"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/jp4115404"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1017\/s0033583506004173"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1007\/s10858-012-9602-0"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2011.06.133"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1021\/acs.biochem.5b01259"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/bi4001529"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0017587"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1096\/fj.01-0442hyp"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/cr500638n"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.271.15.8545"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1110\/ps.062076806"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1110\/ps.041292205"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(95)00067-e"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1039\/fd9960300141"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1039\/a608381a"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1039\/a806899b"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1016\/s0009-2614(98)01080-x"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1021\/jp9900537"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1313006111"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0900622106"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.3390\/biom11081216"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpc.2015.05.007"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1021\/ma60026a017"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1007\/bf00260402"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1021\/ma60046a022"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1088\/1478-3975\/6\/1\/015005"},{"key":"ref96\/cit96","doi-asserted-by":"publisher","DOI":"10.1021\/acschemneuro.2c00122"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.m204168200"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbamem.2018.03.015"}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.2c04743","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.2c04743","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T09:08:34Z","timestamp":1682413714000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpcb.2c04743"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,9,30]]},"references-count":98,"journal-issue":{"issue":"40","published-print":{"date-parts":[[2022,10,13]]}},"alternative-id":["10.1021\/acs.jpcb.2c04743"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpcb.2c04743","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2022,9,30]]}}}