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The virus encodes for a polyprotein, which is later cleaved to form multiple proteins, of which NS1 protein oligomerization domain, 2k, and capsid anchor are three aggregation\u2010prone peptides, as have been previously seen. A relatively under\u2010studied angle of these peptides is the role of these peptides in cross\u2010aggregation with certain human aggregation\u2010prone proteins. Here, we have tried to shed light on this cross\u2010aggregation perspective of these three peptides in combination with human amylin, \u03b1\u2010synuclein, and A\u03b242 peptides, making use of extensive all\u2010atom MD simulations to study the cross\u2010aggregation behavior of the peptides in atomistic detail. The intricacies of peptide aggregation have been studied based on the aggregate size calculation and the solvent accessible surface area method, giving a direct estimate of the aggregation seed development process. The importance of the different peptide residues in both self and cross\u2010aggregation has been elucidated. This study may shed light on the cross\u2010aggregation potential of these three peptides and help to explain the viral pathogenesis pathway in greater detail.<\/jats:p>","DOI":"10.1002\/jmr.70009","type":"journal-article","created":{"date-parts":[[2025,7,30]],"date-time":"2025-07-30T16:48:23Z","timestamp":1753894103000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Computational Cross\u2010Aggregation Study of Dengue Virus <scp>NS1<\/scp>, Capsid Anchor and 2k Peptides With Human Amylin, A\u03b242 and \u03b1\u2010Synuclein Peptides"],"prefix":"10.1002","volume":"38","author":[{"given":"Dwaipayan","family":"Chaudhuri","sequence":"first","affiliation":[{"name":"Department of Life Sciences Presidency University  Kolkata India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Satyabrata","family":"Majumder","sequence":"additional","affiliation":[{"name":"Department of Life Sciences Presidency University  Kolkata India"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5681-2612","authenticated-orcid":false,"given":"Kalyan","family":"Giri","sequence":"additional","affiliation":[{"name":"Department of Life Sciences Presidency University  Kolkata India"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2025,7,30]]},"reference":[{"key":"e_1_2_12_2_1","doi-asserted-by":"publisher","DOI":"10.1128\/CMR.11.3.480"},{"key":"e_1_2_12_3_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13071\u2010018\u20102830\u20108"},{"key":"e_1_2_12_4_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.0c01122"},{"key":"e_1_2_12_5_1","doi-asserted-by":"publisher","DOI":"10.1039\/c7cs00372b"},{"key":"e_1_2_12_6_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41580\u2010018\u20100060\u20108"},{"key":"e_1_2_12_7_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598\u2010023\u201048886\u20109"},{"key":"e_1_2_12_8_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41592\u2010022\u201001488\u20101"},{"key":"e_1_2_12_9_1","unstructured":"E.Lindahl B.Hess andD.van derSpoel \u201cGROMACS 2021.5 Manual \u201dZenodo (2022) https:\/\/doi.org\/10.5281\/zenodo.5849961."},{"key":"e_1_2_12_10_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20291"},{"key":"e_1_2_12_11_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.24660"},{"key":"e_1_2_12_12_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3149788"},{"key":"e_1_2_12_13_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.328693"},{"key":"e_1_2_12_14_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.470117"},{"key":"e_1_2_12_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.5b00190"},{"key":"e_1_2_12_16_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/gkh429"},{"key":"e_1_2_12_17_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.virol.2021.04.010"},{"key":"e_1_2_12_18_1","doi-asserted-by":"publisher","DOI":"10.1111\/jnc.12202"},{"key":"e_1_2_12_19_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.virol.2023.07.010"},{"key":"e_1_2_12_20_1","doi-asserted-by":"publisher","DOI":"10.7759\/cureus.44970"},{"key":"e_1_2_12_21_1","doi-asserted-by":"crossref","unstructured":"W.Christ S.Kapell M. 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