{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,13]],"date-time":"2026-03-13T14:46:00Z","timestamp":1773413160896,"version":"3.50.1"},"reference-count":37,"publisher":"Proceedings of the National Academy of Sciences","issue":"46","content-domain":{"domain":["www.pnas.org"],"crossmark-restriction":true},"short-container-title":["Proc. Natl. Acad. Sci. U.S.A."],"published-print":{"date-parts":[[2004,11,16]]},"abstract":"<jats:p>Assembly of normally soluble proteins into amyloid fibrils is a cause or associated symptom of numerous human disorders, including Alzheimer's and the prion diseases. We report molecular-level simulation of spontaneous fibril formation. Systems containing 12-96 model polyalanine peptides form fibrils at temperatures greater than a critical temperature that decreases with peptide concentration and exceeds the peptide's folding temperature, consistent with experimental findings. Formation of small amorphous aggregates precedes ordered nucleus formation and subsequent rapid fibril growth through addition of \u03b2-sheets laterally and monomeric peptides at fibril ends. The fibril's structure is similar to that observed experimentally.<\/jats:p>","DOI":"10.1073\/pnas.0407273101","type":"journal-article","created":{"date-parts":[[2004,11,9]],"date-time":"2004-11-09T01:25:16Z","timestamp":1099963516000},"page":"16180-16185","update-policy":"https:\/\/doi.org\/10.1073\/pnas.cm10313","source":"Crossref","is-referenced-by-count":344,"title":["Molecular dynamics simulations of spontaneous fibril formation by random-coil peptides"],"prefix":"10.1073","volume":"101","author":[{"given":"Hung D.","family":"Nguyen","sequence":"first","affiliation":[{"name":"Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC 27695-7905"}]},{"given":"Carol K.","family":"Hall","sequence":"additional","affiliation":[{"name":"Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, NC 27695-7905"}]}],"member":"341","published-online":{"date-parts":[[2004,11,8]]},"reference":[{"key":"e_1_3_2_1_2","doi-asserted-by":"publisher","DOI":"10.1098\/rstb.2000.0758"},{"key":"e_1_3_2_2_2","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0502-323"},{"key":"e_1_3_2_3_2","doi-asserted-by":"publisher","DOI":"10.1046\/j.1432-1033.2002.03024.x"},{"key":"e_1_3_2_4_2","doi-asserted-by":"crossref","first-page":"2335","DOI":"10.1110\/ps.4270102","volume":"11","year":"2002","unstructured":"Ma, B. & Nussinov, R. (2002) Protein Sci. 11, 2335-2350.12237456","journal-title":"Protein Sci."},{"key":"e_1_3_2_5_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0835307100"},{"key":"e_1_3_2_6_2","doi-asserted-by":"publisher","DOI":"10.1080\/08927029808024178"},{"key":"e_1_3_2_7_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0014-5793(02)03392-6"},{"key":"e_1_3_2_8_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0969-2126(03)00031-5"},{"key":"e_1_3_2_9_2","doi-asserted-by":"publisher","DOI":"10.1038\/416507a"},{"key":"e_1_3_2_10_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.1079469"},{"key":"e_1_3_2_11_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.1100"},{"key":"e_1_3_2_12_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1730376"},{"key":"e_1_3_2_13_2","doi-asserted-by":"publisher","DOI":"10.1006\/bbrc.1995.1770"},{"key":"e_1_3_2_14_2","first-page":"83930","volume":"36","year":"1997","unstructured":"Blondelle, S. E., Forood, B., Houghten, R. A. & Perez-Paya, E. (1997) Biochemistry 36, 83930-8400.","journal-title":"Biochemistry"},{"key":"e_1_3_2_15_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.1103"},{"key":"e_1_3_2_16_2","doi-asserted-by":"crossref","first-page":"2909","DOI":"10.1110\/ps.04701304","volume":"13","year":"2004","unstructured":"Nguyen, H. D., Marchut, A. J. & Hall, C. K. (2004) Protein Sci. 13, 2909-2924.15498937","journal-title":"Protein Sci."},{"key":"e_1_3_2_17_2","doi-asserted-by":"publisher","DOI":"10.1088\/0305-4470\/11\/8\/008"},{"key":"e_1_3_2_18_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.438770"},{"key":"e_1_3_2_19_2","doi-asserted-by":"publisher","DOI":"10.1080\/00268978000100671"},{"key":"e_1_3_2_20_2","doi-asserted-by":"publisher","DOI":"10.1006\/jcph.1996.5510"},{"key":"e_1_3_2_21_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.439486"},{"key":"e_1_3_2_22_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.289.5483.1317"},{"key":"e_1_3_2_23_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0021-9258(19)61939-3"},{"key":"e_1_3_2_24_2","doi-asserted-by":"publisher","DOI":"10.1021\/bi001782b"},{"key":"e_1_3_2_25_2","doi-asserted-by":"publisher","DOI":"10.1074\/jbc.M312452200"},{"key":"e_1_3_2_26_2","doi-asserted-by":"publisher","DOI":"10.1016\/S1074-5521(97)90303-3"},{"key":"e_1_3_2_27_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.96.18.9989"},{"key":"e_1_3_2_28_2","doi-asserted-by":"publisher","DOI":"10.1046\/j.1432-1327.2000.01270.x"},{"key":"e_1_3_2_29_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.95.23.13407"},{"key":"e_1_3_2_30_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.230315097"},{"key":"e_1_3_2_31_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(02)75244-2"},{"key":"e_1_3_2_32_2","doi-asserted-by":"publisher","DOI":"10.1016\/0959-440X(94)90259-3"},{"key":"e_1_3_2_33_2","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1997.1348"},{"key":"e_1_3_2_34_2","doi-asserted-by":"publisher","DOI":"10.1006\/bbrc.1993.1514"},{"key":"e_1_3_2_35_2","doi-asserted-by":"publisher","DOI":"10.1016\/S0006-3495(98)77812-9"},{"key":"e_1_3_2_36_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja000645z"},{"key":"e_1_3_2_37_2","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.2000.3908"}],"container-title":["Proceedings of the National Academy of Sciences"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pnas.org\/doi\/pdf\/10.1073\/pnas.0407273101","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,1,15]],"date-time":"2024-01-15T04:01:58Z","timestamp":1705291318000},"score":1,"resource":{"primary":{"URL":"https:\/\/pnas.org\/doi\/full\/10.1073\/pnas.0407273101"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2004,11,8]]},"references-count":37,"journal-issue":{"issue":"46","published-print":{"date-parts":[[2004,11,16]]}},"alternative-id":["10.1073\/pnas.0407273101"],"URL":"https:\/\/doi.org\/10.1073\/pnas.0407273101","relation":{},"ISSN":["0027-8424","1091-6490"],"issn-type":[{"value":"0027-8424","type":"print"},{"value":"1091-6490","type":"electronic"}],"subject":[],"published":{"date-parts":[[2004,11,8]]},"assertion":[{"value":"2004-06-14","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication History"}},{"value":"2004-11-08","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}