{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,12]],"date-time":"2026-07-12T00:11:45Z","timestamp":1783815105210,"version":"3.55.0"},"reference-count":49,"publisher":"American Chemical Society (ACS)","issue":"2","funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["31200993"],"award-info":[{"award-number":["31200993"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100002338","name":"Ministry of Education of the People's Republic of China","doi-asserted-by":"publisher","award":["20120185120025"],"award-info":[{"award-number":["20120185120025"]}],"id":[{"id":"10.13039\/501100002338","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2015,2,23]]},"DOI":"10.1021\/ci500522v","type":"journal-article","created":{"date-parts":[[2015,2,2]],"date-time":"2015-02-02T16:37:19Z","timestamp":1422895039000},"page":"329-342","source":"Crossref","is-referenced-by-count":139,"title":["Self-Binding Peptides: Folding or Binding?"],"prefix":"10.1021","volume":"55","author":[{"given":"Chao","family":"Yang","sequence":"first","affiliation":[{"name":"Center\rof Bioinformatics (COBI), Key Laboratory for Neuroinformation of the\rMinistry of Education, Center for Information in BioMedicine, School\rof Life Science and Technology, University of Electronic Science and Technology of China (UESTC), Chengdu 610054, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Shilei","family":"Zhang","sequence":"additional","affiliation":[{"name":"Center\rof Bioinformatics (COBI), Key Laboratory for Neuroinformation of the\rMinistry of Education, Center for Information in BioMedicine, School\rof Life Science and Technology, University of Electronic Science and Technology of China (UESTC), Chengdu 610054, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ping","family":"He","sequence":"additional","affiliation":[{"name":"Department\rof Cardiothoracic Surgery, Southwest Hospital, Third Military Medical University, Chongqing 400038, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Congcong","family":"Wang","sequence":"additional","affiliation":[{"name":"Center\rof Bioinformatics (COBI), Key Laboratory for Neuroinformation of the\rMinistry of Education, Center for Information in BioMedicine, School\rof Life Science and Technology, University of Electronic Science and Technology of China (UESTC), Chengdu 610054, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jian","family":"Huang","sequence":"additional","affiliation":[{"name":"Center\rof Bioinformatics (COBI), Key Laboratory for Neuroinformation of the\rMinistry of Education, Center for Information in BioMedicine, School\rof Life Science and Technology, University of Electronic Science and Technology of China (UESTC), Chengdu 610054, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Peng","family":"Zhou","sequence":"additional","affiliation":[{"name":"Center\rof Bioinformatics (COBI), Key Laboratory for Neuroinformation of the\rMinistry of Education, Center for Information in BioMedicine, School\rof Life Science and Technology, University of Electronic Science and Technology of China (UESTC), Chengdu 610054, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2015,2,11]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"e1000335","DOI":"10.1371\/journal.pcbi.1000335","volume":"5","author":"Petsalaki E.","year":"2009","journal-title":"PLoS Comput. Biol."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"e1002341","DOI":"10.1371\/journal.pcbi.1002341","volume":"8","author":"Akiva E.","year":"2012","journal-title":"PLoS Comput. Biol."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"465","DOI":"10.1016\/j.copbio.2006.08.002","volume":"17","author":"Neduva V.","year":"2006","journal-title":"Curr. Opin. Biotechnol."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"344","DOI":"10.1016\/j.copbio.2008.06.004","volume":"19","author":"Petsalaki E.","year":"2008","journal-title":"Curr. Opin. Biotechnol."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"789","DOI":"10.1016\/j.str.2013.02.023","volume":"21","author":"Verschueren E.","year":"2013","journal-title":"Structure"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"226","DOI":"10.2174\/092986712803414150","volume":"19","author":"Zhou P.","year":"2012","journal-title":"Curr. Med. Chem."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1985","DOI":"10.2174\/0929867311320150005","volume":"20","author":"Zhou P.","year":"2013","journal-title":"Curr. Med. Chem."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1007\/BF01868635","volume":"115","author":"Von Heijne G.","year":"1990","journal-title":"J. Membr. Biol."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"17863","DOI":"10.1074\/jbc.M908025199","volume":"275","author":"Suokas M.","year":"2000","journal-title":"J. Biol. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"784","DOI":"10.1111\/j.1398-9995.2011.02610.x","volume":"66","author":"Moldaver D.","year":"2011","journal-title":"Allergy"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"256","DOI":"10.1038\/nsb0497-256","volume":"4","author":"Nguyen J. T.","year":"1997","journal-title":"Nat. Struct. Mol. Biol."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"7261","DOI":"10.1093\/emboj\/16.24.7261","volume":"16","author":"Gonfloni S.","year":"1997","journal-title":"EMBO J."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"7918","DOI":"10.1038\/sj.onc.1208081","volume":"23","author":"Boggon T. J.","year":"2004","journal-title":"Oncogene"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"1124","DOI":"10.1093\/oxfordjournals.jbchem.a022230","volume":"124","author":"Nagao T.","year":"1998","journal-title":"J. Biochem."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"1088","DOI":"10.1016\/j.cell.2011.05.015","volume":"145","author":"Liu W.","year":"2011","journal-title":"Cell"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"15370","DOI":"10.1073\/pnas.0808115105","volume":"105","author":"Bayrhuber M.","year":"2008","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"1021","DOI":"10.1038\/nature05858","volume":"447","author":"Sugase K.","year":"2007","journal-title":"Nature"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"2017","DOI":"10.1038\/srep02017","volume":"3","author":"Dogan J.","year":"2013","journal-title":"Sci. Rep.\u2013UK"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"D475","DOI":"10.1093\/nar\/gks1200","volume":"41","author":"Rose P. W.","year":"2013","journal-title":"Nucleic Acids Res."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"1711","DOI":"10.1006\/jmbi.1998.2400","volume":"285","author":"Word J. M.","year":"1999","journal-title":"J. Mol. Biol."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"940","DOI":"10.1002\/jcc.21109","volume":"30","author":"Zhou P.","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref22\/cit22","unstructured":"Case, D.; Darden, T.; Cheatham, T.; Simmerling, C.; Wang, J.; Duke, R.; Luo, R.; Walker, R.; Zhang, W.; Merz, K.AMBER 12;University of California, San Francisco, 2012; Vol.1, p3."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"1950","DOI":"10.1002\/prot.22711","volume":"78","author":"Lindorff-Larsen K.","year":"2010","journal-title":"Proteins: Struct., Funct., Bioinf."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","volume":"98","author":"Darden T.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"24","DOI":"10.1016\/0021-9991(83)90014-1","volume":"52","author":"Andersen H. C.","year":"1983","journal-title":"J. Comput. Phys."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"Jorgensen W. L.","year":"1983","journal-title":"J. Chem. Phys."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"681","DOI":"10.1038\/378681a0","volume":"378","author":"Renaud J.-P.","year":"1995","journal-title":"Nature"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","volume":"25","author":"Wang J.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"623","DOI":"10.1093\/bioinformatics\/btk023","volume":"22","author":"Lomize M. A.","year":"2006","journal-title":"Bioinformatics"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"11124","DOI":"10.1021\/jp3059992","volume":"116","author":"Skjevik \u00c5. A.","year":"2012","journal-title":"J. Phys. Chem. B"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1023\/A:1008763014207","volume":"18","author":"Massova I.","year":"2000","journal-title":"Perspect. Drug Discovery Des."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0010-4655(95)00041-D","volume":"91","author":"Pearlman D. A.","year":"1995","journal-title":"Comput. Phys. Commun."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1016\/j.cpc.2013.08.022","volume":"185","author":"Giorgino T.","year":"2014","journal-title":"Comput. Phys. Commun."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1007\/s00232-005-7006-8","volume":"208","author":"Ku\u010derka N.","year":"2006","journal-title":"J. Membr. Biol."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2761","DOI":"10.1016\/j.bbamem.2011.07.022","volume":"1808","author":"Ku\u010derka N.","year":"2011","journal-title":"Biochimica et Biophysica Acta (BBA)-Biomembranes"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"2577","DOI":"10.1002\/bip.360221211","volume":"22","author":"Kabsch W.","year":"1983","journal-title":"Biopolymers"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"595","DOI":"10.1038\/385595a0","volume":"385","author":"Wenqing X.","year":"1997","journal-title":"Nature"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"688","DOI":"10.1038\/nature04316","volume":"439","author":"T\u00f6rnroth-Horsefield S.","year":"2005","journal-title":"Nature"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"653","DOI":"10.1016\/j.jmb.2009.01.065","volume":"387","author":"Nyblom M.","year":"2009","journal-title":"J. Mol. Biol."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1016\/j.molcel.2007.05.002","volume":"26","author":"Li W.","year":"2007","journal-title":"Mol. Cell"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"ra2","DOI":"10.1126\/scisignal.1159433","volume":"1","author":"Miller M. L.","year":"2008","journal-title":"Sci. signal."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"e2524","DOI":"10.1371\/journal.pone.0002524","volume":"3","author":"Stein A.","year":"2008","journal-title":"PLoS One"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1016\/j.str.2009.11.012","volume":"18","author":"London N.","year":"2010","journal-title":"Structure"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"2022","DOI":"10.1021\/ci5000246","volume":"54","author":"Yu H.","year":"2014","journal-title":"J. Chem. Inf. Model."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"e1002131","DOI":"10.1371\/journal.pcbi.1002131","volume":"7","author":"Staneva I.","year":"2011","journal-title":"PLoS Comput. Biol."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"36","DOI":"10.1038\/nature02218","volume":"427","author":"van den Berg B.","year":"2003","journal-title":"Nature"},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"2356","DOI":"10.1529\/biophysj.105.075291","volume":"90","author":"Gumbart J.","year":"2006","journal-title":"Biophys. J."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"451","DOI":"10.1105\/tpc.10.3.451","volume":"10","author":"Johansson I.","year":"1998","journal-title":"Plant Cell Online"},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"e14827","DOI":"10.1371\/journal.pone.0014827","volume":"6","author":"Brokx S. J.","year":"2011","journal-title":"PLoS One"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci500522v","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,23]],"date-time":"2023-04-23T07:03:49Z","timestamp":1682233429000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci500522v"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,2,11]]},"references-count":49,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2015,2,23]]}},"alternative-id":["10.1021\/ci500522v"],"URL":"https:\/\/doi.org\/10.1021\/ci500522v","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2015,2,11]]}}}