{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,30]],"date-time":"2026-04-30T04:13:06Z","timestamp":1777522386834,"version":"3.51.4"},"reference-count":25,"publisher":"SAGE Publications","issue":"10","license":[{"start":{"date-parts":[[2020,10,1]],"date-time":"2020-10-01T00:00:00Z","timestamp":1601510400000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc\/4.0\/"},{"start":{"date-parts":[[2020,10,1]],"date-time":"2020-10-01T00:00:00Z","timestamp":1601510400000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.sagepub.com\/page\/policies\/text-and-data-mining-license"}],"content-domain":{"domain":["journals.sagepub.com"],"crossmark-restriction":true},"short-container-title":["Journal of Computational Biology"],"published-print":{"date-parts":[[2020,10,1]]},"abstract":"<jats:p>\n                    Earlier analysis of the Protein Data Bank derived the distribution of rotations from the plane of a protein hydrogen bond donor peptide group to the plane of its acceptor peptide group. The quasi Boltzmann formalism of Pohl\u2013Finkelstein is employed to estimate free energies of protein elements with these hydrogen bonds, pinpointing residues with a high propensity for conformational change. This is applied to viral glycoproteins as well as capsids, where the 90th+ percentiles of free energies determine residues that correlate well with viral fusion peptides and other functional domains in known cases and thus provide a novel method for predicting these sites of importance as antiviral drug or vaccine targets in general. The method is implemented at\n                    <jats:ext-link xmlns:xlink=\"http:\/\/www.w3.org\/1999\/xlink\" ext-link-type=\"uri\" xlink:href=\"https:\/\/bion-server.au.dk\/hbonds\/\">https:\/\/bion-server.au.dk\/hbonds\/<\/jats:ext-link>\n                    from an uploaded Protein Data Bank file.\n                  <\/jats:p>","DOI":"10.1089\/cmb.2020.0120","type":"journal-article","created":{"date-parts":[[2020,4,6]],"date-time":"2020-04-06T16:58:30Z","timestamp":1586192310000},"page":"1495-1508","update-policy":"https:\/\/doi.org\/10.1177\/sage-journals-update-policy","source":"Crossref","is-referenced-by-count":9,"title":["Backbone Free Energy Estimator Applied to Viral Glycoproteins"],"prefix":"10.1177","volume":"27","author":[{"given":"Robert C.","family":"Penner","sequence":"first","affiliation":[{"name":"Institut des Hautes \u00c9tudes Scientifiques, Bures-sur-Yvette, France."},{"name":"Mathematics Department, University of California at Los Angeles, Los Angeles, California."}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"179","published-online":{"date-parts":[[2020,10,13]]},"reference":[{"key":"e_1_3_5_2_1","doi-asserted-by":"publisher","DOI":"10.1093\/nar\/28.1.235"},{"key":"e_1_3_5_3_1","doi-asserted-by":"publisher","DOI":"10.3390\/v7062747"},{"key":"e_1_3_5_4_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12859-018-2083-8"},{"key":"e_1_3_5_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/nsmb.1455"},{"key":"e_1_3_5_6_1","doi-asserted-by":"publisher","DOI":"10.1093\/clinids\/2.1.40"},{"key":"e_1_3_5_7_1","volume-title":"Introduction to Modern Virology","author":"Dimmock N.J.","year":"2007","unstructured":"Dimmock N.J., , Easton A.J., , and Leppard K.N. 2007. 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