{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,10,10]],"date-time":"2023-10-10T03:09:28Z","timestamp":1696907368624},"reference-count":40,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2015,9,1]],"date-time":"2015-09-01T00:00:00Z","timestamp":1441065600000},"content-version":"tdm","delay-in-days":5602,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Comput. Chem."],"published-print":{"date-parts":[[2000,4,30]]},"DOI":"10.1002\/(sici)1096-987x(20000430)21:6<446::aid-jcc4>3.0.co;2-s","type":"journal-article","created":{"date-parts":[[2002,8,25]],"date-time":"2002-08-25T04:06:00Z","timestamp":1030248360000},"page":"446-461","source":"Crossref","is-referenced-by-count":7,"title":["PEPCAT?A new tool for conformational analysis of peptides"],"prefix":"10.1002","volume":"21","author":[{"given":"M. F.","family":"O'Donohue","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"E.","family":"Minasian","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S. J.","family":"Leach","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A. W.","family":"Burgess","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"H. R.","family":"Treutlein","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","reference":[{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB1","doi-asserted-by":"crossref","first-page":"223","DOI":"10.1126\/science.181.4096.223","volume":"181","author":"Anfinsen","year":"1973","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB2","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"2","author":"Jorgensen","year":"1983","journal-title":"J Chem Phys"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB3","doi-asserted-by":"crossref","first-page":"1221","DOI":"10.1073\/pnas.72.4.1221","volume":"72","author":"Burgess","year":"1975","journal-title":"Proc Natl Acad Sci USA"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB4","volume-title":"Molecular Modelling Principles and Applications","author":"Leach","year":"1996","unstructured":"Molecular Modelling Principles and Applications; Addison Wesley Longman Ltd: Essex, UK, 1996, chap. 8."},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB5","doi-asserted-by":"crossref","first-page":"1093","DOI":"10.1016\/S0969-2126(97)00260-8","volume":"8","author":"Orengo","year":"1997","journal-title":"Structure"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB6","first-page":"536","volume":"247","author":"Murzin","year":"1995","journal-title":"Gen Appl Microbiol"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB7","doi-asserted-by":"crossref","first-page":"412","DOI":"10.1002\/prot.340170408","volume":"4","author":"Amadei","year":"1993","journal-title":"Proteins"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB8","first-page":"169","volume":"2","author":"Vanaalten","year":"1997","journal-title":"Comp Chem"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB9","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1002\/jcc.540040211","volume":"2","author":"Brooks","year":"1983","journal-title":"J Comp Chem"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB10","volume-title":"X-PLOR Manual","author":"Br\ufffdnger","year":"1992","unstructured":"X-PLOR Manual; Yale University Press: New Haven, CT, 1992."},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB11","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1002\/(SICI)1097-0134(19990201)34:2<232::AID-PROT9>3.0.CO;2-9","volume":"34","author":"Verbitsky","year":"1999","journal-title":"Proteins Struct Funct Genet"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB12","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1002\/(SICI)1097-0134(19990215)34:3<317::AID-PROT5>3.0.CO;2-7","volume":"34","author":"Young","year":"1999","journal-title":"Proteins Struct Funct Genet"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB13","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1002\/jcc.540150811","volume":"8","author":"Shenkin","year":"1994","journal-title":"J Comp Chem"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB14","doi-asserted-by":"crossref","first-page":"1331","DOI":"10.1002\/jcc.540151203","volume":"12","author":"Torda","year":"1994","journal-title":"J Comp Chem"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB15","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1006\/jmbi.1993.1489","volume":"233","author":"Holm","year":"1993","journal-title":"Mol Biol"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB16","doi-asserted-by":"crossref","first-page":"96","DOI":"10.1016\/0021-9991(77)90112-7","volume":"24","author":"Crippen","year":"1977","journal-title":"Comp Phys"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB17","doi-asserted-by":"crossref","first-page":"391","DOI":"10.1002\/(SICI)1097-0134(199612)26:4<391::AID-PROT3>3.0.CO;2-F","volume":"26","author":"Mirny","year":"1996","journal-title":"Proteins Struct Funct Genet"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB18","volume-title":"Artificial Intelligence and the Design of Expert Systems","author":"Luger","year":"1989","unstructured":"; Artificial Intelligence and the Design of Expert Systems; Benjamin\/Cummings Publishing Company, Inc.: Redwood City, CA, 1989, part II."},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB19","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1002\/(SICI)1097-0134(1997)1+<2::AID-PROT2>3.0.CO;2-T","volume":"1","author":"Moult","year":"1997","journal-title":"Proteins Struct Funct Genet Suppl"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB20","doi-asserted-by":"crossref","first-page":"798","DOI":"10.1002\/jcc.540100604","volume":"6","author":"Lambert","year":"1989","journal-title":"J Comp Chem"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB21","doi-asserted-by":"crossref","first-page":"1295","DOI":"10.1002\/(SICI)1096-987X(19970730)18:10<1295::AID-JCC4>3.0.CO;2-I","volume":"10","author":"Bravi","year":"1997","journal-title":"J Comp Chem"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB22","doi-asserted-by":"crossref","first-page":"7","DOI":"10.1016\/0020-0190(89)90102-6","volume":"1","author":"Kamada","year":"1989","journal-title":"Inf Process Lett"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB23","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/0167-8140(93)90167-7","volume":"29","author":"Tubiana","year":"1993","journal-title":"Radiother Oncol"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB24","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1016\/0014-5793(90)81106-X","volume":"269","author":"Laerum","year":"1990","journal-title":"FEBS Lett"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB25","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1002\/(SICI)1097-0215(19970127)70:3<323::AID-IJC13>3.0.CO;2-G","volume":"3","author":"Alisauskas","year":"1997","journal-title":"Int J Cancer"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB26","doi-asserted-by":"crossref","first-page":"1313","DOI":"10.1182\/blood.V77.6.1313.1313","volume":"6","author":"Paukovits","year":"1991","journal-title":"Blood"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB27","first-page":"851","volume":"26","author":"Paukovits","year":"1998","journal-title":"Exp Haematol"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB28","doi-asserted-by":"crossref","first-page":"5350","DOI":"10.1073\/pnas.85.15.5350","volume":"85","author":"Maple","year":"1988","journal-title":"Proc Natl Acad Sci USA"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB29","doi-asserted-by":"crossref","first-page":"255","DOI":"10.1016\/0014-5793(94)80149-5","volume":"340","author":"Wenger","year":"1994","journal-title":"FEBS Lett"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB30","doi-asserted-by":"crossref","first-page":"3896","DOI":"10.1021\/bi00131a002","volume":"31","author":"Liu","year":"1992","journal-title":"Biochemistry"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB31","first-page":"408","volume":"3","author":"Ryffel","year":"1989","journal-title":"Pharm Rev"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB32","doi-asserted-by":"crossref","first-page":"953","DOI":"10.1126\/science.1948082","volume":"254","author":"W\ufffdthrich","year":"1991","journal-title":"Science"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB33","first-page":"31","volume":"1","author":"Allen","year":"1993","journal-title":"Chem Des Auto News"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB34","doi-asserted-by":"crossref","first-page":"682","DOI":"10.1002\/hlca.19850680319","volume":"68","author":"Loosli","year":"1985","journal-title":"Helv Chim Acta"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB35","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1038\/361091a0","volume":"361","author":"Pf\ufffdgl","year":"1993","journal-title":"Nature"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB36","doi-asserted-by":"crossref","first-page":"1119","DOI":"10.1006\/jmbi.1993.1664","volume":"234","author":"Mikol","year":"1993","journal-title":"J Mol Biol"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB37","first-page":"1078","volume":"D54","author":"Sussman","year":"1998","journal-title":"Acta Crystallogr"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB38","doi-asserted-by":"crossref","first-page":"2191","DOI":"10.1002\/pro.5560041025","volume":"4","author":"O'Donohue","year":"1995","journal-title":"Protein Sci"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB39","doi-asserted-by":"crossref","first-page":"3586","DOI":"10.1021\/jp973084f","volume":"102","author":"Mac Kerell","year":"1998","journal-title":"J Phys Chem B"},{"key":"10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S-BIB40","doi-asserted-by":"crossref","first-page":"1635","DOI":"10.1002\/hlca.19960790614","volume":"6","author":"Pohl","year":"1996","journal-title":"Helv Chim Acta"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2F(SICI)1096-987X(20000430)21:6%3C446::AID-JCC4%3E3.0.CO;2-S","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/full\/10.1002\/(SICI)1096-987X(20000430)21:6%3C446::AID-JCC4%3E3.0.CO;2-S","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2021,7,1]],"date-time":"2021-07-01T10:33:40Z","timestamp":1625135620000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/(SICI)1096-987X(20000430)21:6<446::AID-JCC4>3.0.CO;2-S"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000,4,30]]},"references-count":40,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2000,4,30]]}},"URL":"https:\/\/doi.org\/10.1002\/(sici)1096-987x(20000430)21:6<446::aid-jcc4>3.0.co;2-s","relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2000,4,30]]}}}