{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,28]],"date-time":"2026-02-28T15:44:01Z","timestamp":1772293441358,"version":"3.50.1"},"reference-count":28,"publisher":"AIP Publishing","issue":"23","content-domain":{"domain":["pubs.aip.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2005,12,15]]},"abstract":"<jats:p>Vibrational energy storage and propagation are simulated in a fully atomic model of an \u03b1-helix by combining the AMBER force field for proteins with an extended version of the Davydov\/Scott model for amide I vibrational transfer [A. Scott, Phys. Rep.\u2008217, 1 (1992)]. Dipole-dipole interactions between transition dipole moments of amide I and its on-site energies are calculated from the corresponding three-dimensional atomic positions. The comparison of the theoretically calculated absorption line shapes with the experimentally measured ones leads to a putative value of the nonlinearity parameter of \u221230pN.<\/jats:p>","DOI":"10.1063\/1.2138705","type":"journal-article","created":{"date-parts":[[2005,12,21]],"date-time":"2005-12-21T15:49:00Z","timestamp":1135180140000},"update-policy":"https:\/\/doi.org\/10.1063\/aip-crossmark-policy-page","source":"Crossref","is-referenced-by-count":24,"title":["Influence of the nonlinearity and dipole strength on the amide I band of protein \u03b1-helices"],"prefix":"10.1063","volume":"123","author":[{"given":"Leonor","family":"Cruzeiro","sequence":"first","affiliation":[{"name":"University of Algarve CCMAR and FCT, , 8000 Faro, Portugal"}]}],"member":"317","published-online":{"date-parts":[[2005,12,21]]},"reference":[{"key":"2023080400275994600_c1","doi-asserted-by":"crossref","first-page":"74","DOI":"10.1111\/j.1749-6632.1974.tb14374.x","volume":"227","year":"1974","journal-title":"Ann. N.Y. Acad. Sci."},{"key":"2023080400275994600_c2","volume-title":"Solitons in Molecular Systems","year":"1991","edition":"2nd ed."},{"key":"2023080400275994600_c3","doi-asserted-by":"crossref","first-page":"181","DOI":"10.1016\/S0065-3233(08)60528-8","volume":"38","year":"1986","journal-title":"Adv. Protein Chem."},{"key":"2023080400275994600_c4","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/0370-1573(92)90093-F","volume":"217","year":"1992","journal-title":"Phys. Rep."},{"key":"2023080400275994600_c5","doi-asserted-by":"publisher","first-page":"894","DOI":"10.1103\/PhysRevE.56.894","volume":"56","year":"1997","journal-title":"Phys. Rev. E"},{"key":"2023080400275994600_c6","doi-asserted-by":"publisher","first-page":"4689","DOI":"10.1103\/PhysRevB.30.4689","volume":"30","year":"1984","journal-title":"Phys. Rev. B"},{"key":"2023080400275994600_c7","doi-asserted-by":"publisher","first-page":"067403","DOI":"10.1103\/PhysRevLett.88.067403","volume":"88","year":"2002","journal-title":"Phys. Rev. Lett."},{"key":"2023080400275994600_c8","doi-asserted-by":"publisher","first-page":"2415","DOI":"10.1063\/1.1487376","volume":"117","year":"2002","journal-title":"J. Chem. Phys."},{"key":"2023080400275994600_c9","doi-asserted-by":"publisher","first-page":"2709","DOI":"10.1063\/1.1586694","volume":"119","year":"2003","journal-title":"J. Chem. Phys."},{"key":"2023080400275994600_c10","doi-asserted-by":"publisher","first-page":"214301","DOI":"10.1103\/PhysRevB.69.214301","volume":"69","year":"2004","journal-title":"Phys. Rev. B"},{"key":"2023080400275994600_c11","doi-asserted-by":"publisher","first-page":"128101","DOI":"10.1103\/PhysRevLett.94.128101","volume":"94","year":"2005","journal-title":"Phys. Rev. Lett."},{"key":"2023080400275994600_c12","doi-asserted-by":"publisher","first-page":"106405","DOI":"10.1103\/PhysRevLett.93.106405","volume":"93","year":"2004","journal-title":"Phys. Rev. Lett."},{"key":"2023080400275994600_c13","doi-asserted-by":"crossref","first-page":"199","DOI":"10.1007\/978-1-4757-9948-4","volume-title":"Davydov\u2019s Soliton Revisited: Self-Trapping of Vibrational Energy in Protein","author":"Christiansen","year":"1990"},{"key":"2023080400275994600_c14","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1007\/978-1-4757-9948-4","volume-title":"Davydov\u2019s Soliton Revisited: Self-Trapping of Vibrational Energy in Protein","author":"Christiansen","year":"1990"},{"key":"2023080400275994600_c15","unstructured":"N.\u2008\u00d8sterg\u00e5rd, Ph.D. thesis, Technical University of Denmark, 1991."},{"key":"2023080400275994600_c16a","doi-asserted-by":"publisher","first-page":"607","DOI":"10.1002\/bip.1976.360150402","volume":"15","year":"1976","journal-title":"Biopolymers"},{"key":"2023080400275994600_c16b","doi-asserted-by":"publisher","first-page":"637","DOI":"10.1002\/bip.1976.360150404","volume":"15","year":"1976","journal-title":"Biopolymers"},{"key":"2023080400275994600_c17","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1007\/978-1-4757-9948-4","volume-title":"Davydov\u2019s Soliton Revisited: Self-Trapping of Vibrational Energy in Protein","author":"Christiansen","year":"1990"},{"key":"2023080400275994600_c18","doi-asserted-by":"publisher","first-page":"1700","DOI":"10.1126\/science.286.5445.1700","volume":"286","year":"1999","journal-title":"Science"},{"key":"2023080400275994600_c19","doi-asserted-by":"publisher","first-page":"235","DOI":"10.1093\/nar\/28.1.235","volume":"28","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"2023080400275994600_c20","year":"1999"},{"key":"2023080400275994600_c21","doi-asserted-by":"publisher","first-page":"1","DOI":"10.1016\/0010-4655(95)00041-D","volume":"91","year":"1995","journal-title":"Comput. Phys. Commun."},{"key":"2023080400275994600_c22","doi-asserted-by":"publisher","first-page":"4703","DOI":"10.1103\/PhysRevB.30.4703","volume":"30","year":"1984","journal-title":"Phys. Rev. B"},{"key":"2023080400275994600_c23","doi-asserted-by":"publisher","first-page":"391","DOI":"10.1016\/0375-9601(91)90039-B","volume":"154","year":"1991","journal-title":"Phys. Lett. A"},{"key":"2023080400275994600_c24","doi-asserted-by":"publisher","first-page":"637","DOI":"10.1002\/bip.1976.360150404","volume":"15","year":"1976","journal-title":"Biopolymers"},{"key":"2023080400275994600_c25","doi-asserted-by":"publisher","first-page":"7880","DOI":"10.1063\/1.461317","volume":"95","year":"1991","journal-title":"J. Chem. Phys."},{"key":"2023080400275994600_c26","doi-asserted-by":"crossref","first-page":"565","DOI":"10.1016\/j.jmb.2004.05.066","volume":"341","year":"2004","journal-title":"J. Mol. Biol."},{"key":"2023080400275994600_c27"}],"container-title":["The Journal of Chemical Physics"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/1.2138705\/15377326\/234909_1_online.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"syndication"},{"URL":"https:\/\/pubs.aip.org\/aip\/jcp\/article-pdf\/doi\/10.1063\/1.2138705\/15377326\/234909_1_online.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,8,4]],"date-time":"2023-08-04T00:28:13Z","timestamp":1691108893000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.aip.org\/jcp\/article\/123\/23\/234909\/965648\/Influence-of-the-nonlinearity-and-dipole-strength"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2005,12,15]]},"references-count":28,"journal-issue":{"issue":"23","published-print":{"date-parts":[[2005,12,15]]}},"URL":"https:\/\/doi.org\/10.1063\/1.2138705","relation":{},"ISSN":["0021-9606","1089-7690"],"issn-type":[{"value":"0021-9606","type":"print"},{"value":"1089-7690","type":"electronic"}],"subject":[],"published-other":{"date-parts":[[2005,12,15]]},"published":{"date-parts":[[2005,12,15]]},"article-number":"234909"}}