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F.","year":"2011","journal-title":"Nature"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"322","DOI":"10.1126\/science.1202793","volume":"332","author":"Xu F.","year":"2011","journal-title":"Science"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"508","DOI":"10.1038\/nature11558","volume":"490","author":"White J. F.","year":"2012","journal-title":"Nature"},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"953","DOI":"10.1210\/me.2004-0536","volume":"20","author":"Hunyady L.","year":"2006","journal-title":"Mol. Endocrinol."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"622","DOI":"10.1038\/nchembio.961","volume":"8","author":"Sauli\u00e8re A.","year":"2012","journal-title":"Nat. Chem. Biol."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1210\/edrv.21.1.0390","volume":"21","author":"Gether U.","year":"2000","journal-title":"Endocr. Rev."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1714","DOI":"10.1021\/jm980499w","volume":"42","author":"Mavromoustakos T.","year":"1999","journal-title":"J. Med. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"125","DOI":"10.1016\/S0731-7085(01)00603-3","volume":"28","author":"Zoumpoulakis P.","year":"2002","journal-title":"J. Pharm. Biomed. Anal."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"833","DOI":"10.1016\/S0731-7085(02)00655-6","volume":"31","author":"Zoumpoulakis P.","year":"2003","journal-title":"J. Pharm. Biomed. Anal."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1097","DOI":"10.1016\/j.jpba.2005.09.016","volume":"40","author":"Zoumpoulakis P.","year":"2006","journal-title":"J. Pharm. Biomed. Anal."},{"key":"ref13\/cit13","first-page":"537","volume":"2","author":"Zoumpoulakis P.","year":"2005","journal-title":"Drug Des. Rev."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1016\/S0009-3084(03)00053-7","volume":"125","author":"Zoumpoulakis P.","year":"2003","journal-title":"Chem. Phys. Lipids."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"2386","DOI":"10.1021\/ci200130m","volume":"51","author":"Matsoukas M.-T.","year":"2011","journal-title":"J. Chem. Inf. Model."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"404","DOI":"10.1021\/jm00369a030","volume":"27","author":"Matsoukas J. M.","year":"1984","journal-title":"J. Med. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"434","DOI":"10.1016\/0006-291X(84)90494-7","volume":"122","author":"Matsoukas J. M.","year":"1984","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"1418","DOI":"10.1021\/jm00402a028","volume":"31","author":"Matsoukas J.","year":"1988","journal-title":"J. Med. Chem."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1080\/00387018808082323","volume":"21","author":"Matsoukas J. M.","year":"1988","journal-title":"Spectrosc. Lett."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"5303","DOI":"10.1016\/S0021-9258(17)37688-3","volume":"269","author":"Matsoukas J. M.","year":"1994","journal-title":"J. Biol. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0968-0896(99)00266-7","volume":"8","author":"Matsoukas J. M.","year":"2000","journal-title":"Bioorg. Med. Chem."},{"key":"ref22\/cit22","first-page":"335","volume-title":"Peptides 1986","author":"Matsoukas J. M.","year":"1987"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"407","DOI":"10.1007\/BF01116558","volume":"5","author":"Moore G. J.","year":"1985","journal-title":"Biosci. Rep."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1046\/j.1432-1033.2003.03441.x","volume":"270","author":"Tzakos A. G.","year":"2003","journal-title":"Eur. J. Biochem."},{"key":"ref25\/cit25","first-page":"21","volume-title":"Methods in Enzymology","volume":"522","author":"Taddese B.","year":"2013"},{"key":"ref26\/cit26","first-page":"816","volume":"10","author":"Harrison C.","year":"2011","journal-title":"Nat. Rev. Drug Discov."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"1256","DOI":"10.1124\/mol.63.6.1256","volume":"63","author":"Fredriksson R.","year":"2003","journal-title":"Mol. 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Chem."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"990","DOI":"10.1016\/j.bcp.2010.06.004","volume":"80","author":"Arsenault J.","year":"2010","journal-title":"Biochem. Pharmacol."},{"key":"ref34\/cit34","first-page":"366","volume-title":"Methods in Neurosciences","volume":"25","author":"Ballesteros J. A.","year":"1995"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2284","DOI":"10.1074\/jbc.270.5.2284","volume":"270","author":"Noda K.","year":"1995","journal-title":"J. Biol. Chem."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"27","DOI":"10.1023\/A:1007930623000","volume":"12","author":"Hansson T.","year":"1998","journal-title":"J. Comput-Aided. Mol. Des."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"182","DOI":"10.1124\/mol.106.033670","volume":"72","author":"Martin S. S.","year":"2007","journal-title":"Mol. Pharmacol."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"8187","DOI":"10.1074\/jbc.M112.442053","volume":"288","author":"Fillion D.","year":"2013","journal-title":"J. Biol. Chem."},{"key":"ref39\/cit39","volume-title":"Current Protocols in Bioinformatics","author":"Eswar N.","year":"2002"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"36628","DOI":"10.1074\/jbc.M305952200","volume":"278","author":"Boucard A. A.","year":"2003","journal-title":"J. Biol. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"13328","DOI":"10.1021\/jp204843r","volume":"115","author":"Bockenhauer S.","year":"2011","journal-title":"J. Phys. Chem. B"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"532","DOI":"10.1016\/j.cell.2013.01.008","volume":"152","author":"Nygaard R.","year":"2013","journal-title":"Cell"},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1038\/nature06325","volume":"450","author":"Rasmussen S. G. F.","year":"2007","journal-title":"Nature"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"7317","DOI":"10.1021\/bi800442g","volume":"47","author":"Han D. S.","year":"2008","journal-title":"Biochemistry"},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"2593","DOI":"10.1074\/jbc.M112.395939","volume":"288","author":"Cabana J.","year":"2013","journal-title":"J. Biol. Chem."},{"key":"ref46\/cit46","first-page":"261","volume":"75","author":"Griesinger C.","year":"1987","journal-title":"J. Magn. Reson."},{"key":"ref47\/cit47","volume-title":"MacroModel","year":"2012"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"D71","DOI":"10.1093\/nar\/gkr981","volume":"40","author":"The UniProt Consortium","year":"2012","journal-title":"Nucleic Acids Res."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"1409","DOI":"10.1016\/j.jmb.2004.08.090","volume":"343","author":"Li J.","year":"2004","journal-title":"J. Mol. Biol."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"2507","DOI":"10.1110\/ps.062416606","volume":"15","author":"Shen M.-Y.","year":"2006","journal-title":"Protein Sci."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"283","DOI":"10.1107\/S0021889892009944","volume":"26","author":"Laskowski R. A.","year":"1993","journal-title":"J. Appl. Crystallogr."},{"key":"ref52\/cit52","volume-title":"Glide, Induced Fit Docking protocol","year":"2012"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"1505","DOI":"10.1111\/j.1476-5381.1996.tb16065.x","volume":"119","author":"Nirula V.","year":"1996","journal-title":"Br. J. Pharmacol."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"132","DOI":"10.1016\/j.regpep.2006.02.008","volume":"134","author":"Corr\u00eaa S. A. A.","year":"2006","journal-title":"Regul. Pept."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"434","DOI":"10.1016\/j.bbrc.2010.11.139","volume":"404","author":"Ohno K.","year":"2011","journal-title":"Biochem. Biophys. Res. Commun."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"19288","DOI":"10.1074\/jbc.M602144200","volume":"281","author":"Miura S.-I.","year":"2006","journal-title":"J. Biol. Chem."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"1753","DOI":"10.1110\/ps.9.9.1753","volume":"9","author":"Fiser A.","year":"2000","journal-title":"Protein Sci."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/0010-4655(95)00042-E","volume":"91","author":"Berendsen H. J. C.","year":"1995","journal-title":"Comput. Phys. Commun."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"1017","DOI":"10.1002\/jcc.20579","volume":"28","author":"Cordom\u00ed A.","year":"2007","journal-title":"J. Comput. Chem."},{"key":"ref60\/cit60","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":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"2002","DOI":"10.1016\/S0006-3495(97)78845-3","volume":"72","author":"Berger O.","year":"1997","journal-title":"Biophys. J."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"948","DOI":"10.1021\/ct200491c","volume":"8","author":"Cordomi A.","year":"2012","journal-title":"J. Chem. Theory Comput."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"952","DOI":"10.1002\/jcc.540130805","volume":"13","author":"Miyamoto S.","year":"1992","journal-title":"J. Comput. Chem."},{"key":"ref64\/cit64","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":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"433","DOI":"10.1529\/biophysj.105.073239","volume":"90","author":"Alml\u00f6f M.","year":"2006","journal-title":"Biophys. 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