{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,11,8]],"date-time":"2025-11-08T12:11:27Z","timestamp":1762603887537},"reference-count":94,"publisher":"Springer Science and Business Media LLC","issue":"10","license":[{"start":{"date-parts":[[2013,10,1]],"date-time":"2013-10-01T00:00:00Z","timestamp":1380585600000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2013,10]]},"DOI":"10.1007\/s10822-013-9686-y","type":"journal-article","created":{"date-parts":[[2013,10,23]],"date-time":"2013-10-23T15:27:35Z","timestamp":1382542055000},"page":"873-895","source":"Crossref","is-referenced-by-count":16,"title":["Structural functionality, catalytic mechanism modeling and molecular allergenicity of phenylcoumaran benzylic ether reductase, an olive pollen (Ole e 12) allergen"],"prefix":"10.1007","volume":"27","author":[{"given":"Jose C.","family":"Jimenez-Lopez","sequence":"first","affiliation":[]},{"given":"Simeon O.","family":"Kotchoni","sequence":"additional","affiliation":[]},{"given":"Maria C.","family":"Hernandez-Soriano","sequence":"additional","affiliation":[]},{"given":"Emma W.","family":"Gachomo","sequence":"additional","affiliation":[]},{"given":"Juan D.","family":"Alch\u00e9","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2013,10,24]]},"reference":[{"key":"9686_CR1","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1186\/1471-2229-12-219","volume":"12","author":"H Moummou","year":"2012","unstructured":"Moummou H, Kallberg Y, Tonfack LB, Persson B, van der Rest B (2012) BMC Plant Biol 12:219","journal-title":"BMC Plant Biol"},{"key":"9686_CR2","doi-asserted-by":"crossref","first-page":"226","DOI":"10.1016\/j.canlet.2008.03.052","volume":"269","author":"S Banerjee","year":"2008","unstructured":"Banerjee S, Li Y, Wang Z, Sarkar FH (2008) Cancer Lett 269:226\u2013242","journal-title":"Cancer Lett"},{"key":"9686_CR3","volume-title":"Comprehensive natural products chemistry","author":"NG Lewis","year":"1999","unstructured":"Lewis NG, Davin LB (1999) In: Barton DHR, Nakanishi K, Meth-Cohn O (eds) Comprehensive natural products chemistry. Elsevier, London"},{"key":"9686_CR4","unstructured":"Dixon RA (1999) In: Sankawa U (ed) Comprehensive natural products chemistry. Elsevier, Oxford"},{"key":"9686_CR5","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1016\/j.pbi.2005.03.005","volume":"8","author":"LP Taylor","year":"2005","unstructured":"Taylor LP, Grotewold E (2005) Curr Opin Plant Biol 8:317\u2013323","journal-title":"Curr Opin Plant Biol"},{"key":"9686_CR6","doi-asserted-by":"crossref","first-page":"98","DOI":"10.1111\/j.1744-7909.2010.00905.x","volume":"52","author":"CS Buer","year":"2010","unstructured":"Buer CS, Imin N, Djordjevic MA (2010) J Integr Plant Biol 52:98\u2013111","journal-title":"J Integr Plant Biol"},{"key":"9686_CR7","doi-asserted-by":"crossref","first-page":"923","DOI":"10.1023\/A:1005749913203","volume":"33","author":"GJ Eldik van","year":"1997","unstructured":"van Eldik GJ, Ruiter RK, Colla PH, van Herpen MM, Schrauwen JA, Wullems GJ (1997) Plant Mol Biol 33:923\u2013929","journal-title":"Plant Mol Biol"},{"key":"9686_CR8","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1046\/j.1365-3083.1998.00294.x","volume":"47","author":"S Vieths","year":"1998","unstructured":"Vieths S, Frank E, Scheurer S, Meyer HE, Hrazdina G, Haustein D (1998) Scand J Immunol 47:263\u2013267","journal-title":"Scand J Immunol"},{"key":"9686_CR9","doi-asserted-by":"crossref","first-page":"847","DOI":"10.1023\/A:1005996515602","volume":"36","author":"A Lers","year":"1998","unstructured":"Lers A, Burd S, Lomaniec E, Droby S, Chalutz E (1998) Plant Mol Biol 36:847\u2013856","journal-title":"Plant Mol Biol"},{"key":"9686_CR10","doi-asserted-by":"crossref","first-page":"7516","DOI":"10.1074\/jbc.274.11.7516","volume":"274","author":"DR Gang","year":"1999","unstructured":"Gang DR, Kasahara H, Xia ZQ, Mijnsbrugge KV, Bauw G, Boerjan W, Van Montagu M, Davin LB, Lewis NG (1999) J Biol Chem 274:7516\u20137527","journal-title":"J Biol Chem"},{"issue":"5","key":"9686_CR11","doi-asserted-by":"crossref","first-page":"991","DOI":"10.1016\/S0091-6749(99)70080-1","volume":"104","author":"F Karamloo","year":"1999","unstructured":"Karamloo F, Schmitz N, Scheurer S, Foetisch K, Hoffmann A, Haustein D, Vieths S (1999) J Allergy Clin Immunol 104(5):991\u2013999","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR12","doi-asserted-by":"crossref","first-page":"273","DOI":"10.1007\/s10086-007-0892-x","volume":"53","author":"S Suzuki","year":"2007","unstructured":"Suzuki S, Umezawa T (2007) J Wood Sci 53:273\u2013284","journal-title":"J Wood Sci"},{"key":"9686_CR13","doi-asserted-by":"crossref","first-page":"29473","DOI":"10.1074\/jbc.271.46.29473","volume":"271","author":"AT Dinkova-Kostova","year":"1996","unstructured":"Dinkova-Kostova AT, Gang DR, Davin LB, Bedger DL, Chu A, Lewis NG (1996) J Biol Chem 271:29473\u201329482","journal-title":"J Biol Chem"},{"key":"9686_CR14","doi-asserted-by":"crossref","first-page":"618","DOI":"10.1074\/jbc.274.2.618","volume":"274","author":"M Fujita","year":"1999","unstructured":"Fujita M, Gang DR, Davin LB, Lewis NG (1999) J Biol Chem 274:618\u2013627","journal-title":"J Biol Chem"},{"key":"9686_CR15","doi-asserted-by":"crossref","first-page":"653","DOI":"10.1007\/BF00037051","volume":"17","author":"NL Paiva","year":"1991","unstructured":"Paiva NL, Edwards R, Sun Y, Hrazdina G, Dixon RA (1991) Plant Mol Biol 17:653\u2013667","journal-title":"Plant Mol Biol"},{"key":"9686_CR16","doi-asserted-by":"crossref","first-page":"751","DOI":"10.1111\/j.1432-1033.1991.tb16241.x","volume":"200","author":"K Tiemann","year":"1991","unstructured":"Tiemann K, Inz\u00e9 D, Van Montagu M, Barz W (1991) Eur J Biochem 200:751\u2013757","journal-title":"Eur J Biochem"},{"key":"9686_CR17","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1006\/abbi.1994.1338","volume":"312","author":"NL Paiva","year":"1994","unstructured":"Paiva NL, Sun Y, Dixon RA, Van Etten HD, Hrazdina G (1994) Arch Biochem Biophys 312:501\u2013510","journal-title":"Arch Biochem Biophys"},{"key":"9686_CR18","doi-asserted-by":"crossref","first-page":"1341","DOI":"10.1016\/j.jmb.2006.03.022","volume":"358","author":"X Wang","year":"2006","unstructured":"Wang X, He X, Lin J, Shao H, Chang Z, Dixon RA (2006) J Mol Biol 358:1341\u20131352","journal-title":"J Mol Biol"},{"key":"9686_CR19","doi-asserted-by":"crossref","first-page":"50714","DOI":"10.1074\/jbc.M308493200","volume":"278","author":"T Min","year":"2003","unstructured":"Min T, Kasahara H, Bedgar DL, Youn B, Lawrence PK, Gang DR, Halls SC, Park H, Hilsenbeck JL, Davin LB, Lewis NG, Kang C (2003) J Biol Chem 278:50714\u201350723","journal-title":"J Biol Chem"},{"key":"9686_CR20","doi-asserted-by":"crossref","first-page":"69","DOI":"10.1038\/35095579","volume":"1","author":"M Will-Karp","year":"2001","unstructured":"Will-Karp M, Santeliz J, Karp CL (2001) Nat Rev Immunol 1:69\u201375","journal-title":"Nat Rev Immunol"},{"key":"9686_CR21","doi-asserted-by":"crossref","first-page":"473","DOI":"10.1111\/j.1365-2222.1983.tb02624.x","volume":"13","author":"M Blanca","year":"1983","unstructured":"Blanca M, Boulton P, Brostoff J, Gonz\u00e1lez-Reguera I (1983) Clin Allergy 13:473\u2013478","journal-title":"Clin Allergy"},{"key":"9686_CR22","doi-asserted-by":"crossref","first-page":"10","DOI":"10.1186\/1471-2229-8-10","volume":"8","author":"A Hamman-Khalifa","year":"2008","unstructured":"Hamman-Khalifa A, Castro AJ, Jimenez-Lopez JC, Rodr\u00edguez-Garc\u00eda MI, Alch\u00e9 JD (2008) BMC Plant Biol 8:10","journal-title":"BMC Plant Biol"},{"issue":"2","key":"9686_CR23","doi-asserted-by":"crossref","first-page":"e30878","DOI":"10.1371\/journal.pone.0030878","volume":"7","author":"JC Jimenez-Lopez","year":"2012","unstructured":"Jimenez-Lopez JC, Morales S, Castro AJ, Volkmann D, Rodr\u00edguez-Garc\u00eda MI, Alch\u00e9 JD (2012) PLoS ONE 7(2):e30878","journal-title":"PLoS ONE"},{"key":"9686_CR24","doi-asserted-by":"crossref","unstructured":"Jimenez-Lopez JC, Rodr\u00edguez-Garc\u00eda MI, Alch\u00e9 JD (2013) PLoS ONE\u00a08(10):e76066. doi: 10.1371\/journal.pone.0076066","DOI":"10.1371\/journal.pone.0076066"},{"key":"9686_CR25","doi-asserted-by":"crossref","first-page":"2729","DOI":"10.1111\/j.1742-4658.2010.07689.x","volume":"277","author":"G Salamanca","year":"2010","unstructured":"Salamanca G, Rodriguez R, Quiralte J, Moreno C, Pascual CY, Barber D, Villalba M (2010) FEBS J 277:2729\u20132739","journal-title":"FEBS J"},{"key":"9686_CR26","doi-asserted-by":"crossref","first-page":"4965","DOI":"10.1007\/s00894-012-1492-2","volume":"18","author":"JC Jimenez-Lopez","year":"2012","unstructured":"Jimenez-Lopez JC, Kotchoni SO, Rodr\u00edguez-Garc\u00eda MI, Alch\u00e9 JD (2012) J Mol Model 18:4965\u20134984","journal-title":"J Mol Model"},{"key":"9686_CR27","doi-asserted-by":"crossref","first-page":"858","DOI":"10.1016\/j.str.2010.04.007","volume":"18","author":"S Wu","year":"2010","unstructured":"Wu S, Zhang Y (2010) Structure\u00a018:858\u2013867","journal-title":"Structure"},{"key":"9686_CR28","doi-asserted-by":"crossref","first-page":"3124","DOI":"10.1002\/prot.22835","volume":"78","author":"D Kozakov","year":"2010","unstructured":"Kozakov D, Hall DR, Beglov D, Brenke R, Comeau SR, Shen Y, Li K, Zheng J, Vakili P, Paschalidis IC, Vajda S (2010) Proteins 78:3124\u20133130","journal-title":"Proteins"},{"key":"9686_CR29","doi-asserted-by":"crossref","first-page":"105","DOI":"10.1016\/0022-2836(82)90515-0","volume":"157","author":"J Kyte","year":"1982","unstructured":"Kyte J, Doolittle RF (1982) J Mol Biol 157:105\u2013132","journal-title":"J Mol Biol"},{"key":"9686_CR30","doi-asserted-by":"crossref","first-page":"215","DOI":"10.1016\/0014-5793(85)80374-4","volume":"188","author":"GW Welling","year":"1985","unstructured":"Welling GW, Weijer WJ, van der Zee R, Welling-Wester S (1985) FEBS Lett 188:215\u2013218","journal-title":"FEBS Lett"},{"key":"9686_CR31","doi-asserted-by":"crossref","first-page":"5425","DOI":"10.1021\/bi00367a013","volume":"25","author":"JMR Parker","year":"1986","unstructured":"Parker JMR, Guo D, Hodges RS (1986) Biochemistry 25:5425\u20135431","journal-title":"Biochemistry"},{"key":"9686_CR32","doi-asserted-by":"crossref","first-page":"3824","DOI":"10.1073\/pnas.78.6.3824","volume":"78","author":"TP Hopp","year":"1981","unstructured":"Hopp TP, Woods KR (1981) Proc Natl Acad Sci USA 78:3824\u20133828","journal-title":"Proc Natl Acad Sci USA"},{"key":"9686_CR33","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.talanta.2012.01.016","volume":"92","author":"C Esteve","year":"2012","unstructured":"Esteve C, Montealegre C, Marina ML, Garcia MC (2012) Talanta 92:1\u201314","journal-title":"Talanta"},{"key":"9686_CR34","doi-asserted-by":"crossref","first-page":"e993","DOI":"10.1371\/journal.pone.0000993","volume":"2","author":"GV Louie","year":"2007","unstructured":"Louie GV, Baiga TJ, Bowman ME, Koeduka T, Taylor JH et al (2007) PLoS ONE 2:e993","journal-title":"PLoS ONE"},{"key":"9686_CR35","doi-asserted-by":"crossref","first-page":"629","DOI":"10.1002\/prot.20163","volume":"56","author":"I Levin","year":"2004","unstructured":"Levin I, Schwarzenbacher R, McMullan D, Abdubek P, Ambing E et al (2004) Proteins 56:629\u2013633","journal-title":"Proteins"},{"key":"9686_CR36","doi-asserted-by":"crossref","first-page":"119","DOI":"10.1016\/j.jsb.2008.06.013","volume":"164","author":"C Arcangeli","year":"2008","unstructured":"Arcangeli C, Cantale C, Galeffi P, Rosato V (2008) J Struct Biol 164:119\u2013133","journal-title":"J Struct Biol"},{"key":"9686_CR37","doi-asserted-by":"crossref","first-page":"2509","DOI":"10.1105\/tpc.004218","volume":"14","author":"A Bovy","year":"2002","unstructured":"Bovy A, de Vos R, Kemper M, Schijlen E, Almenar M, Muir S, Collins G, Robinson S, Verhoeyen M, Hughes S, Santos C, van Tunen A (2002) Plant Cell 14:2509\u20132526","journal-title":"Plant Cell"},{"key":"9686_CR38","doi-asserted-by":"crossref","first-page":"4045","DOI":"10.1105\/tpc.110.080028","volume":"22","author":"SS Kim","year":"2010","unstructured":"Kim SS, Grienenberger E, Lallemand B, Colpitts CC, Kim SY, Souza A, Geoffroy P, Heintz D, Krahn D, Kaiser M, Kombrink E, Heitz T, Suh DY, Legrand M, Douglas CJ (2010) Plant Cell 22:4045\u20134066","journal-title":"Plant Cell"},{"key":"9686_CR39","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/S0969-2126(96)00007-X","volume":"4","author":"N Tanaka","year":"1996","unstructured":"Tanaka N, Nonaka T, Nakanishi M, Deyashiki Y, Hara A, Mitsui Y (1996) Structure\u00a04:33\u201345","journal-title":"Structure"},{"key":"9686_CR40","doi-asserted-by":"crossref","first-page":"265","DOI":"10.1016\/j.jmb.2007.03.040","volume":"369","author":"H Shao","year":"2007","unstructured":"Shao H, Dixon RA, Wang X (2007) J Mol Biol 369:265\u2013276","journal-title":"J Mol Biol"},{"key":"9686_CR41","doi-asserted-by":"crossref","first-page":"25","DOI":"10.1093\/dnares\/dsm004","volume":"14","author":"N Shimada","year":"2007","unstructured":"Shimada N, Sato S, Akashi T, Nakamura Y, Tabata S, Ayabe S-I, Aoki T (2007) DNA Res 14:25\u201336","journal-title":"DNA Res"},{"key":"9686_CR42","doi-asserted-by":"crossref","unstructured":"Gutierrez-Gonzalez JJ, Wu X, Gillman JD, Lee JD, Zhong R, Yu O, Shannon G, Ellersieck M, Nguyen HT, Sleper DA (2010) BMC Plant Biol 10:105","DOI":"10.1186\/1471-2229-10-105"},{"key":"9686_CR43","doi-asserted-by":"crossref","first-page":"6003","DOI":"10.1021\/bi00018a001","volume":"34","author":"H Jornvall","year":"1995","unstructured":"Jornvall H, Persson B, Krook M, Atrian S, Gonzalez-Duarte R, Jeffery J, Ghosh D (1995) Biochem 34:6003\u20136013","journal-title":"Biochem"},{"key":"9686_CR44","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1016\/S0009-2797(02)00164-3","volume":"143\u2013144","author":"U Oppermann","year":"2003","unstructured":"Oppermann U, Filling C, Hult M, Shafqat N, Wu X, Lindh M, Shafqat J, Nordling E, Kallberg Y, Persson B, Jornvall H (2003) Chem Biol Interact 143\u2013144:247\u2013253","journal-title":"Chem Biol Interact"},{"key":"9686_CR45","doi-asserted-by":"crossref","first-page":"775","DOI":"10.1016\/0959-440X(95)80010-7","volume":"5","author":"AM Lesk","year":"1995","unstructured":"Lesk AM (1995) Curr Opin Struct Biol 5:775\u2013783","journal-title":"Curr Opin Struct Biol"},{"key":"9686_CR46","doi-asserted-by":"crossref","first-page":"41333","DOI":"10.1074\/jbc.M007559200","volume":"275","author":"C Grimm","year":"2000","unstructured":"Grimm C, Maser E, Mobus E, Klebe G, Reuter K, Ficner R (2000) J Biol Chem 275:41333\u201341339","journal-title":"J Biol Chem"},{"key":"9686_CR47","doi-asserted-by":"crossref","first-page":"18457","DOI":"10.1074\/jbc.M100538200","volume":"276","author":"D Ghosh","year":"2001","unstructured":"Ghosh D, Sawicki M, Pletnev V, Erman M, Ohno S, Nakajin S, Duax WL (2001) J Biol Chem 276:18457\u201318463","journal-title":"J Biol Chem"},{"key":"9686_CR48","doi-asserted-by":"crossref","first-page":"1704","DOI":"10.1105\/tpc.014548","volume":"15","author":"C Zubieta","year":"2003","unstructured":"Zubieta C, Ross JR, Koscheski P, Yang Y, Pichersky E, Noel JP (2003) Plant Cell 15:1704\u20131716","journal-title":"Plant Cell"},{"issue":"2","key":"9686_CR49","doi-asserted-by":"crossref","first-page":"126","DOI":"10.1016\/j.abb.2011.05.013","volume":"512","author":"H Sakuraba","year":"2011","unstructured":"Sakuraba H, Kawai T, Yoneda K, Ohshima T (2011) Arch Biochem Biophys 512(2):126\u2013134","journal-title":"Arch Biochem Biophys"},{"issue":"24","key":"9686_CR50","doi-asserted-by":"crossref","first-page":"3895","DOI":"10.1007\/s00018-008-8588-y","volume":"65","author":"KL Kavanagh","year":"2008","unstructured":"Kavanagh KL, J\u00f6rnvall H, Persson B, Oppermann U (2008) Cell Mol Life Sci 65(24):3895\u20133906","journal-title":"Cell Mol Life Sci"},{"key":"9686_CR51","doi-asserted-by":"crossref","first-page":"5310","DOI":"10.1046\/j.0014-2956.2001.02463.x","volume":"268","author":"F Karamloo","year":"2001","unstructured":"Karamloo F, Wangorsch A, Kasahara H, Davin LB, Haustein D, Lewis NG, Vieths S (2001) Eur J Biochem 268:5310\u20135320","journal-title":"Eur J Biochem"},{"key":"9686_CR52","doi-asserted-by":"crossref","unstructured":"Wang P, Sidney J, Dow C, Mothe B, Sette A, Peters B (2008) PLoS Comput Biol 4:e1000048","DOI":"10.1371\/journal.pcbi.1000048"},{"issue":"4","key":"9686_CR53","doi-asserted-by":"crossref","first-page":"872","DOI":"10.1016\/j.jaci.2011.07.007","volume":"128","author":"F Dall\u2019Antonia","year":"2011","unstructured":"Dall\u2019Antonia F, Gieras A, Devanaboyina SC, Valenta R, Keller W (2011) J Allergy Clin Immunol 128(4):872\u2013879","journal-title":"J Allergy Clin Immunol"},{"issue":"3","key":"9686_CR54","doi-asserted-by":"crossref","first-page":"599","DOI":"10.1016\/S0091-6749(03)01605-1","volume":"112","author":"G Garc\u00eda-Casado","year":"2003","unstructured":"Garc\u00eda-Casado G, Pacios LF, D\u00edaz-Perales A, S\u00e1nchez-Monge R, Lombardero M, Garc\u00eda-Selles FJ, Polo F, Barber D, Salcedo G (2003) J Allergy Clin Immunol 112(3):599\u2013605","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR55","doi-asserted-by":"crossref","first-page":"1277","DOI":"10.1096\/fasebj.13.11.1277","volume":"13","author":"T Ball","year":"1999","unstructured":"Ball T, Fuchs T, Sperr WR, Valent P, Vangelista L, Kraft D, Valenta R (1999) FASEB J 13:1277\u20131290","journal-title":"FASEB J"},{"issue":"6","key":"9686_CR56","doi-asserted-by":"crossref","first-page":"509","DOI":"10.1016\/j.molimm.2005.05.006","volume":"43","author":"T Midoro-Horiuti","year":"2006","unstructured":"Midoro-Horiuti T, Schein CH, Mathura V, Braun W, Czerwinski EW, Togawa A, Kondo Y, Oka T, Watanabe M, Goldbluma RM (2006) Mol Immunol 43(6):509\u2013518","journal-title":"Mol Immunol"},{"issue":"1","key":"9686_CR57","doi-asserted-by":"crossref","first-page":"123","DOI":"10.1007\/s11033-011-0717-2","volume":"39","author":"JC Jimenez-Lopez","year":"2012","unstructured":"Jimenez-Lopez JC, Gachomo WE, Ariyo O, Baba-Moussa L, Kotchoni SO (2012) Mol Biol Rep 39(1):123\u2013130","journal-title":"Mol Biol Rep"},{"key":"9686_CR58","doi-asserted-by":"crossref","first-page":"920","DOI":"10.1111\/j.1365-2222.2006.02521.x","volume":"36","author":"C Radauer","year":"2006","unstructured":"Radauer C, Willerroiderw M, Fuchs H, Hoffmann K, Thalhamerw J, Ferreira F, Scheiner O, Breiteneder H (2006) Clin Exp Allergy 36:920\u2013929","journal-title":"Clin Exp Allergy"},{"key":"9686_CR59","doi-asserted-by":"crossref","first-page":"6005","DOI":"10.4049\/jimmunol.169.10.6005","volume":"169","author":"B Jahn-Schmid","year":"2002","unstructured":"Jahn-Schmid B, Kelemen P, Himly M, Bohle B, Fischer G, Ferreira F, Ebner C (2002) J Immunol 169:6005\u20136011","journal-title":"J Immunol"},{"key":"9686_CR60","doi-asserted-by":"crossref","first-page":"3740","DOI":"10.1016\/j.molimm.2008.05.026","volume":"45","author":"N Oezguen","year":"2008","unstructured":"Oezguen N, Zhou B, Negi SS, Ivanciuc O, Schein CH, Labesse G, Braun W (2008) Mol Immunol 45:3740\u20133747","journal-title":"Mol Immunol"},{"key":"9686_CR61","doi-asserted-by":"crossref","first-page":"1151","DOI":"10.1016\/j.jaci.2004.07.038","volume":"114","author":"N Wolff","year":"2004","unstructured":"Wolff N, Yannai S, Karin N, Levy Y, Reifen R, Dalal I, Cogan U (2004) J Allergy Clin Immunol 114:1151\u20131158","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR62","doi-asserted-by":"crossref","first-page":"296","DOI":"10.1186\/1471-2105-6-296","volume":"6","author":"KV Brinda","year":"2005","unstructured":"Brinda KV, Vishveshwara S (2005) BMC Bioinformatics 6:296","journal-title":"BMC Bioinformatics"},{"key":"9686_CR63","doi-asserted-by":"crossref","first-page":"2946","DOI":"10.1016\/S0006-3495(02)75302-2","volume":"83","author":"N Sinha","year":"2002","unstructured":"Sinha N, Mohan S, Lipschultz CA, Smith-Gill SJ (2002) Biophys J 83:2946\u20132968","journal-title":"Biophys J"},{"key":"9686_CR64","doi-asserted-by":"crossref","first-page":"991","DOI":"10.1016\/S0091-6749(99)70080-1","volume":"104","author":"F Karamloo","year":"1999","unstructured":"Karamloo F, Schmitz N, Scheurer S, Foetisch K, Hoffmann A, Haustein D, Vieths S (1999) J Allergy Clin Immunol 104:991\u2013999","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR65","doi-asserted-by":"crossref","first-page":"631","DOI":"10.1016\/j.jaci.2011.01.026","volume":"127","author":"A Custovic","year":"2011","unstructured":"Custovic A, Nicolaou N (2011) J Allergy Clin Immunol 127:631\u2013632","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR66","doi-asserted-by":"crossref","first-page":"1016","DOI":"10.1016\/j.jaci.2006.12.622","volume":"119","author":"SA Bock","year":"2007","unstructured":"Bock SA, Munoz-Furlong A, Sampson HA (2007) J Allergy Clin Immunol 119:1016\u20131018","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR67","doi-asserted-by":"crossref","first-page":"1410","DOI":"10.1016\/j.jaci.2004.09.014","volume":"114","author":"D Mittag","year":"2004","unstructured":"Mittag D, Akkerdaas J, Ballmer-Weber BK, Vogel L, Wensing M, Becker WM, Koppelman SJ, Knulst AC, Helbling A, Hefle SL, Van Ree R, Vieths S (2004) J Allergy Clin Immunol 114:1410\u20131417","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR68","doi-asserted-by":"crossref","first-page":"222","DOI":"10.1097\/ACI.0b013e32834656c2","volume":"11","author":"N Nicolaou","year":"2011","unstructured":"Nicolaou N, Custovic A (2011) Curr Opin Allergy Clin Immunol 11:222\u2013228","journal-title":"Curr Opin Allergy Clin Immunol"},{"issue":"2","key":"9686_CR69","doi-asserted-by":"crossref","first-page":"468","DOI":"10.1016\/j.jaci.2012.05.019","volume":"130","author":"A Asarnoj","year":"2012","unstructured":"Asarnoj A, Nilsson C, Lidholm J, Glaumann S, Ostblom E, Hedlin G, van Hage M, Lilja G, Wickman M (2012) J Allergy Clin Immunol 130(2):468\u2013472","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR70","doi-asserted-by":"crossref","first-page":"579","DOI":"10.1111\/j.1398-9995.1992.tb02378.x","volume":"47","author":"DA Levy","year":"1992","unstructured":"Levy DA, Charpin D, Pecquet C, Leynadier F, Vervtoet D (1992) Allergy 47:579\u2013587","journal-title":"Allergy"},{"key":"9686_CR71","doi-asserted-by":"crossref","first-page":"209","DOI":"10.1007\/BF00021432","volume":"23","author":"K D\u00fcring","year":"1993","unstructured":"D\u00fcring K (1993) Plant Mol Biol 23:209\u2013214","journal-title":"Plant Mol Biol"},{"key":"9686_CR72","doi-asserted-by":"crossref","first-page":"684","DOI":"10.1016\/S0091-6749(97)70174-X","volume":"100","author":"Z Chen","year":"1997","unstructured":"Chen Z, Cremer R, Posch A, Raulf-Heimsoth M, Rihs HP, Baur X (1997) J Allergy Clin Immunol 100:684\u2013693","journal-title":"J Allergy Clin Immunol"},{"key":"9686_CR73","doi-asserted-by":"crossref","first-page":"406","DOI":"10.1111\/j.1365-2222.1996.tb00556.x","volume":"26","author":"Z Chen","year":"1996","unstructured":"Chen Z, van Kampen V, Raulf-Heimsoth M, Baur X (1996) Clin Exp Allergy 26:406\u2013415","journal-title":"Clin Exp Allergy"},{"issue":"1","key":"9686_CR74","doi-asserted-by":"crossref","first-page":"11","DOI":"10.1186\/2045-7022-3-11","volume":"3","author":"S Schuler","year":"2013","unstructured":"Schuler S, Ferrari G, Schmid-Grendelmeier P, Harr T (2013) Clin Transl Allergy 3(1):11","journal-title":"Clin Transl Allergy"},{"issue":"6","key":"9686_CR75","doi-asserted-by":"crossref","first-page":"935","DOI":"10.1042\/bst0300935","volume":"30","author":"S Wagner","year":"2002","unstructured":"Wagner S, Breiteneder H (2002) Biochem Soc Trans 30(6):935\u2013940","journal-title":"Biochem Soc Trans"},{"issue":"4","key":"9686_CR76","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1159\/000089188","volume":"138","author":"N Wopfner","year":"2005","unstructured":"Wopfner N, Gadermaier G, Egger M, Asero R, Ebner C, Jahn-Schmid B, Ferreira F (2005) Int Arch Allergy Immunol 138(4):337\u2013346","journal-title":"Int Arch Allergy Immunol"},{"issue":"3","key":"9686_CR77","doi-asserted-by":"crossref","first-page":"1559","DOI":"10.4049\/jimmunol.1102445","volume":"188","author":"B Jahn-Schmid","year":"2012","unstructured":"Jahn-Schmid B, Hauser M, Wopfner N, Briza P, Berger UE, Asero R, Ebner C, Ferreira F, Bohle B (2012) J Immunol 188(3):1559\u20131567","journal-title":"J Immunol"},{"key":"9686_CR78","doi-asserted-by":"crossref","first-page":"4226","DOI":"10.1073\/pnas.78.7.4226","volume":"78","author":"H Jornvall","year":"1981","unstructured":"Jornvall H, Persson M, Jeffery J (1981) Proc Natl Acad SciUSA 78:4226\u20134230","journal-title":"Proc Natl Acad SciUSA"},{"key":"9686_CR79","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1080\/03602530600969440","volume":"39","author":"F Hoffmann","year":"2007","unstructured":"Hoffmann F, Maser E (2007) Drug Metab Rev 39:87\u2013144","journal-title":"Drug Metab Rev"},{"key":"9686_CR80","doi-asserted-by":"crossref","first-page":"636","DOI":"10.1110\/ps.26902","volume":"11","author":"Y Kallberg","year":"2002","unstructured":"Kallberg Y, Oppermann U, Jornvall H, Persson B (2002) Protein Sci 11:636\u2013641","journal-title":"Protein Sci"},{"key":"9686_CR81","doi-asserted-by":"crossref","first-page":"1079","DOI":"10.1016\/j.jmb.2010.02.002","volume":"397","author":"C Mauge","year":"2010","unstructured":"Mauge C, Granier T, Langlois d\u2019Estaintot B, Gargouri B, Manigand C, Schmitter JM, Chaudi\u00e8re J, Gallois B (2010) J Mol Biol 397:1079\u20131091","journal-title":"J Mol Biol"},{"issue":"28","key":"9686_CR82","doi-asserted-by":"crossref","first-page":"25677","DOI":"10.1074\/jbc.M202160200","volume":"277","author":"C Filling","year":"2002","unstructured":"Filling C, Berndt KD, Benach J, Knapp S, Prozorovski T, Nordling E, Ladenstein R, Jornvall H, Oppermann U (2002) J Biol Chem 277(28):25677\u201325684","journal-title":"J Biol Chem"},{"key":"9686_CR83","doi-asserted-by":"crossref","first-page":"13231","DOI":"10.1021\/bi00211a035","volume":"32","author":"BA Swanson","year":"1993","unstructured":"Swanson BA, Frey PA (1993) Biochem 32:13231\u201313236","journal-title":"Biochem"},{"issue":"2","key":"9686_CR84","doi-asserted-by":"crossref","first-page":"123","DOI":"10.3109\/10409238.2012.758083","volume":"48","author":"T Tohge","year":"2013","unstructured":"Tohge T, Watanabe M, Hoefgen R, Fernie AR (2013) Crit Rev Biochem Mol Biol 48(2):123\u2013152","journal-title":"Crit Rev Biochem Mol Biol"},{"key":"9686_CR85","doi-asserted-by":"crossref","first-page":"463","DOI":"10.1016\/j.procbio.2008.02.001","volume":"43","author":"I Limem","year":"2008","unstructured":"Limem I, Guedon E, Hehn A, Bourgaud F, Chekir Ghedira L, Engasser JM, Ghoul M (2008) Process Biochem 43:463\u2013479","journal-title":"Process Biochem"},{"key":"9686_CR86","doi-asserted-by":"crossref","first-page":"14578","DOI":"10.1073\/pnas.212522099","volume":"99","author":"CJ Liu","year":"2002","unstructured":"Liu CJ, Blount JW, Steele CL, Dixon RA (2002) Proc Natl Acad Sci USA 99:14578\u201314583","journal-title":"Proc Natl Acad Sci USA"},{"key":"9686_CR87","doi-asserted-by":"crossref","first-page":"2127","DOI":"10.1002\/bit.24463","volume":"109","author":"JO Julien Racle","year":"2012","unstructured":"Julien Racle JO, Hatzimanikatis V (2012) Biotechnol Bioeng 109:2127\u20132133","journal-title":"Biotechnol Bioeng"},{"key":"9686_CR88","doi-asserted-by":"crossref","first-page":"572","DOI":"10.1002\/bit.23334","volume":"109","author":"E Brunk","year":"2012","unstructured":"Brunk E, Neri M, Tavernelli I, Hatzimanikatis V, Rothlisberger U (2012) Biotechnol Bioeng 109:572\u2013582","journal-title":"Biotechnol Bioeng"},{"key":"9686_CR89","doi-asserted-by":"crossref","first-page":"501","DOI":"10.1016\/j.tibtech.2010.07.002","volume":"28","author":"KC Soh","year":"2010","unstructured":"Soh KC, Hatzimanikatis V (2010) Trends Biotechnol 28:501\u2013508","journal-title":"Trends Biotechnol"},{"key":"9686_CR90","doi-asserted-by":"crossref","first-page":"391","DOI":"10.1016\/j.tibtech.2010.05.003","volume":"28","author":"L Miskovic","year":"2010","unstructured":"Miskovic L, Hatzimanikatis V (2010) Trends Biotechnol 28:391\u2013397","journal-title":"Trends Biotechnol"},{"issue":"2","key":"9686_CR91","doi-asserted-by":"crossref","first-page":"291","DOI":"10.1016\/j.copbio.2012.08.010","volume":"24","author":"P Xu","year":"2013","unstructured":"Xu P, Bhan N, Koffas MAG (2013) Curr Opin Biotechnol 24(2):291\u2013299","journal-title":"Curr Opin Biotechnol"},{"key":"9686_CR92","doi-asserted-by":"crossref","first-page":"3806","DOI":"10.1021\/ol901243e","volume":"11","author":"MI Kim","year":"2009","unstructured":"Kim MI, Kwon SJ, Dordick JS (2009) Org Lett 11:3806\u20133809","journal-title":"Org Lett"},{"key":"9686_CR93","doi-asserted-by":"crossref","first-page":"419","DOI":"10.1021\/cb700033s","volume":"2","author":"SJ Kwon","year":"2007","unstructured":"Kwon SJ, Lee M-Y, Ku B, Sherman DH, Dordick JS (2007) ACS Chem Biol 2:419\u2013425","journal-title":"ACS Chem Biol"},{"key":"9686_CR94","author":"N Bhan","year":"2013","unstructured":"Bhan N, Xu P, Koffas MAG (2013) Curr Opin Biotechnol. doi: 10.1016\/j.copbio.2013.02.019","journal-title":"Curr Opin Biotechnol"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-013-9686-y.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-013-9686-y\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-013-9686-y","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,7,31]],"date-time":"2019-07-31T06:18:34Z","timestamp":1564553914000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-013-9686-y"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,10]]},"references-count":94,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2013,10]]}},"alternative-id":["9686"],"URL":"https:\/\/doi.org\/10.1007\/s10822-013-9686-y","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2013,10]]}}}