{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,1]],"date-time":"2026-09-01T10:16:33Z","timestamp":1788257793315,"version":"build-2803163510"},"reference-count":88,"publisher":"American Chemical Society (ACS)","issue":"3","license":[{"start":{"date-parts":[[2024,1,19]],"date-time":"2024-01-19T00:00:00Z","timestamp":1705622400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2024,1,19]],"date-time":"2024-01-19T00:00:00Z","timestamp":1705622400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2024,1,19]],"date-time":"2024-01-19T00:00:00Z","timestamp":1705622400000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100006769","name":"Russian Science Foundation","doi-asserted-by":"publisher","award":["19-74-30007"],"award-info":[{"award-number":["19-74-30007"]}],"id":[{"id":"10.13039\/501100006769","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2024,2,12]]},"DOI":"10.1021\/acs.jcim.3c01624","type":"journal-article","created":{"date-parts":[[2024,1,19]],"date-time":"2024-01-19T17:21:36Z","timestamp":1705684896000},"page":"918-932","source":"Crossref","is-referenced-by-count":19,"title":["Structure Comparison of Beta Amyloid Peptide A\u03b2 1\u201342 Isoforms. Molecular Dynamics Modeling"],"prefix":"10.1021","volume":"64","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-3860-0733","authenticated-orcid":true,"given":"Anna P.","family":"Tolstova","sequence":"first","affiliation":[{"name":"Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, Moscow 119991, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexander A.","family":"Makarov","sequence":"additional","affiliation":[{"name":"Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, Moscow 119991, Russia"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alexei A.","family":"Adzhubei","sequence":"additional","affiliation":[{"name":"Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, Moscow 119991, Russia"},{"name":"Washington University School of Medicine and Health Sciences, Washington 20052, D.C., United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2024,1,19]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1159\/000369101"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1007\/s12603-019-1162-5"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.3389\/fnagi.2018.00118"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/aps.2017.28"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1155\/2014\/795375"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-319-20164-1_14"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1007\/s12264-017-0144-z"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.3390\/ijms21124477"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1016\/j.ebiom.2016.03.035"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1039\/C8MT00203G"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.3390\/ijms222212161"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.1c10173"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b08089"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.9b04208"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1080\/23746149.2020.1770627"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbadis.2005.03.014"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.3390\/biomedicines10071663"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/pro.3064"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2013.06.021"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2017.12.025"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201500415"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01063"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.0c10078"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1002\/prot.22711"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2021.04.050"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2020.02.019"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01123"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2017.01.006"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1039\/D0NA00941E"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2016.11.006"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2021.167182"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c00762"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.3389\/fnmol.2018.00302"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.mencom.2016.07.001"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.3390\/ijms241411241"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1039\/C4MT00259H"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1002\/prot.24669"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1021\/cn500007j"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/jp503652s"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.3390\/cells8080771"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.3389\/fnins.2018.00518"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1039\/C7MB00249A"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1039\/C4MB00332B"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1007\/s00401-013-1107-8"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1038\/cddis.2013.492"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1186\/s40478-017-0505-x"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-018-21815-x"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.3390\/ijms24010183"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1371\/journal.pone.0035807"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M109.086496"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcb.0c08702"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1800690115"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1038\/s42003-021-01759-1"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00408"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.9b00397"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.3389\/fmolb.2021.654333"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/j.neurobiolaging.2009.06.002"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1134\/S0006297916070130"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M504454200"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/jp102928h"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/alz.040936"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1063\/1.5093184"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-021-21105-7"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/ct1006967"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1016\/j.softx.2015.06.001"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1002\/bip.360221211"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1021\/cr500638n"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/acs.biochem.5b01259"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2001.4970"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.222681699"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrc.2007.07.198"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2006.09.046"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/ja036813f"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/ja711189c"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1039\/D0CC06607A"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2010.10.015"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1021\/acscentsci.9b00369"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.3390\/biom10060961"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.3390\/ijms231911816"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.3390\/life10080144"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.3390\/polym6102684"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.3390\/ijms232214050"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2013.838518"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.0c01175"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1007\/978-1-4939-7811-3_5"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1002\/chir.22821"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c01624","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.3c01624","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,2,12]],"date-time":"2024-02-12T09:11:57Z","timestamp":1707729117000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.3c01624"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2024,1,19]]},"references-count":88,"journal-issue":{"issue":"3","published-print":{"date-parts":[[2024,2,12]]}},"alternative-id":["10.1021\/acs.jcim.3c01624"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.3c01624","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2024,1,19]]}}}