{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,4]],"date-time":"2026-08-04T03:25:55Z","timestamp":1785813955383,"version":"3.56.0"},"reference-count":83,"publisher":"American Chemical Society (ACS)","issue":"12","license":[{"start":{"date-parts":[[2020,11,11]],"date-time":"2020-11-11T00:00:00Z","timestamp":1605052800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2020,11,11]],"date-time":"2020-11-11T00:00:00Z","timestamp":1605052800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2020,11,11]],"date-time":"2020-11-11T00:00:00Z","timestamp":1605052800000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/501100004543","name":"China Scholarship Council","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004543","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100007867","name":"Aachener Graduiertenschule f?r Computergest?tzte Natur- und Ingenieurwissenschaften","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100007867","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2020,12,28]]},"DOI":"10.1021\/acs.jcim.0c01063","type":"journal-article","created":{"date-parts":[[2020,11,11]],"date-time":"2020-11-11T09:13:22Z","timestamp":1605086002000},"page":"6462-6475","source":"Crossref","is-referenced-by-count":121,"title":["Different Force Fields Give Rise to Different Amyloid Aggregation Pathways in Molecular Dynamics Simulations"],"prefix":"10.1021","volume":"60","author":[{"given":"Suman","family":"Samantray","sequence":"first","affiliation":[{"name":"Institute of Biological Information Processing: Structural Biochemistry (IBI-7), Forschungszentrum J\u00fclch, 52428 J\u00fclich, Germany"},{"name":"AICES Graduate School, RWTH Aachen University, Schinkelstra\u00dfe 2, 52062 Aachen, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Feng","family":"Yin","sequence":"additional","affiliation":[{"name":"Institute of Biological Information Processing: Structural Biochemistry (IBI-7), Forschungszentrum J\u00fclch, 52428 J\u00fclich, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Batuhan","family":"Kav","sequence":"additional","affiliation":[{"name":"Institute of Biological Information Processing: Structural Biochemistry (IBI-7), Forschungszentrum J\u00fclch, 52428 J\u00fclich, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8734-7765","authenticated-orcid":true,"given":"Birgit","family":"Strodel","sequence":"additional","affiliation":[{"name":"Institute of Biological Information Processing: Structural Biochemistry (IBI-7), Forschungszentrum J\u00fclch, 52428 J\u00fclich, Germany"},{"name":"Institute of Theoretical and Computational Chemistry, Heinrich Heine University D\u00fcsseldorf, 40225 D\u00fcsseldorf, Germany"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2020,11,11]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2008.10.002"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1101\/cshperspect.a006189"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.3389\/fnagi.2015.00018"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-biochem-061516-045115"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/cr500638n"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2017.01.006"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/ct500569b"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jp508971m"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.4067"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1800690115"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/j.sbi.2017.10.008"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00579"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1007\/s00249-011-0700-9"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1021\/ja00214a001"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/jp003919d"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b01107"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp20323a"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20082"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1529\/biophysj.105.078154"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2011.03.051"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/ct300400x"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1002\/1096-987X(200009)21:12<1049::AID-JCC3>3.0.CO;2-F"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1002\/prot.22711"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00255"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00736"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/bi0011330"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1039\/C0MB00210K"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1016\/j.bbrep.2015.04.005"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1021\/la1034273"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1016\/S0969-2126(03)00031-5"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/ja0548337"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0607440104"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2011.08.042"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/jp412648u"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1819592116"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","unstructured":"Nguyen, P. H.; Sterpone, F.; Derreumaux, P. In\n                      Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly\n                      ; Strodel, B., Barz, B., Eds.; Progress in Molecular Biology and Translational Science; Academic Press, 2020; Vol. 170; pp 435\u2013460.","DOI":"10.1016\/bs.pmbts.2019.12.002"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2010.10.015"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1080\/07391102.2013.838518"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.201500415"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1002\/pro.3064"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1109526109"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1039\/C2MB25334H"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2014.05.007"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2002570117"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1021\/jp003020w"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(87)90078-6"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.445869"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/1.464397"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1063\/1.2408420"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1063\/1.328693"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199906)20:8<786::AID-JCC5>3.0.CO;2-B"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21224"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1038\/nature05695"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1112600108"},{"key":"ref56\/cit56","unstructured":"DeLano, W. L.\n                      PyMOL Molecular Graphics System\n                      , Version 1.8. Schr\u00f6dinger LLC, 2018l http:\/\/www.pymol.org."},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/0263-7855(96)00018-5"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1101\/2020.04.25.060269"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21787"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.bpj.2015.08.015"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1521-3773(19990115)38:1\/2<236::AID-ANIE236>3.0.CO;2-M"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/ct200911w"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.7b10343"},{"key":"ref64\/cit64","unstructured":"Bastian, M.; Heymann, S.; Jacomy, M.\n                      Gephi: An Open Source Software for Exploring and Manipulating Networks\n                      . https:\/\/gephi.org\/ (accessed 2020-01-16)."},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/ct400109a"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.8b00446"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1101\/2020.07.27.223487"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1186\/1472-6807-12-18"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1063\/1.5026744"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/ja025905m"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2001.4860"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1021\/jp047579y"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1063\/1.4895533"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1063\/1.5031005"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.88.138101"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2133366100"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1002\/mrc.1132"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2012.05.044"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1016\/j.str.2004.04.018"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/ja047286i"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1911153117"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1016\/j.jmb.2007.09.023"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/ja906466q"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jcim.0c01063","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,25]],"date-time":"2023-04-25T23:41:55Z","timestamp":1682466115000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.0c01063"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2020,11,11]]},"references-count":83,"journal-issue":{"issue":"12","published-print":{"date-parts":[[2020,12,28]]}},"alternative-id":["10.1021\/acs.jcim.0c01063"],"URL":"https:\/\/doi.org\/10.1021\/acs.jcim.0c01063","relation":{"has-preprint":[{"id-type":"doi","id":"10.1101\/2020.09.09.290320","asserted-by":"object"}]},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2020,11,11]]}}}