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Chem."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"1093","DOI":"10.1006\/jmbi.1999.2809","volume":"289","author":"Verdonk M. L.","year":"1999","journal-title":"J. Mol. Biol."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"4978","DOI":"10.1021\/jm800710x","volume":"51","author":"de Graaf C.","year":"2008","journal-title":"J. Med. Chem."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"1091","DOI":"10.1126\/science.1197410","volume":"330","author":"Chien E. Y.","year":"2010","journal-title":"Science"},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"1066","DOI":"10.1126\/science.1194396","volume":"330","author":"Wu B.","year":"2010","journal-title":"Science"},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"1108","DOI":"10.1016\/j.str.2011.05.012","volume":"19","author":"Kufareva I.","year":"2011","journal-title":"Structure"},{"key":"ref59\/cit59","first-page":"1","volume":"39","author":"Vroling B.","year":"2010","journal-title":"Nucleic Acids Res."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"539","DOI":"10.1021\/jm900817u","volume":"53","author":"Leach A. R.","year":"2010","journal-title":"J. Med. Chem."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"5982","DOI":"10.1073\/pnas.082666399","volume":"99","author":"Okada T.","year":"2002","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"1258","DOI":"10.1126\/science.1150577","volume":"318","author":"Cherezov V.","year":"2007","journal-title":"Science"},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"486","DOI":"10.1038\/nature07101","volume":"454","author":"Warne T.","year":"2008","journal-title":"Nature"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"183","DOI":"10.1038\/nature07063","volume":"454","author":"Park J. H.","year":"2008","journal-title":"Nature"},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"897","DOI":"10.1016\/j.str.2008.05.001","volume":"16","author":"Hanson M. A.","year":"2008","journal-title":"Structure"},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"497","DOI":"10.1038\/nature07330","volume":"455","author":"Scheerer P.","year":"2008","journal-title":"Nature"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1126\/science.1164772","volume":"322","author":"Jaakola V. P.","year":"2008","journal-title":"Science"},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1016\/0022-2836(70)90057-4","volume":"48","author":"Needleman S. B.","year":"1970","journal-title":"J. Mol. Biol."},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"393","DOI":"10.1002\/prot.10104","volume":"47","author":"Krieger E.","year":"2002","journal-title":"Proteins"},{"issue":"52","key":"ref70\/cit70","first-page":"29","volume":"8","author":"Vriend G.","year":"1990","journal-title":"J. Mol. Graphics"},{"key":"ref71\/cit71","first-page":"793","volume":"7","author":"Delaunay B.","year":"1934","journal-title":"Izvestia Akademii Nauk SSSR, Otdelenie Matematicheskikh i Estestvennykh Nauk"},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"1595","DOI":"10.1016\/S0006-3495(02)73929-5","volume":"83","author":"Kumar S.","year":"2002","journal-title":"Biophys. J."},{"key":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"4653","DOI":"10.1021\/jm031139y","volume":"47","author":"Renner S.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"266","DOI":"10.1111\/j.1432-1033.1995.tb20696.x","volume":"231","author":"Breu V.","year":"1995","journal-title":"Eur. J. Biochem."},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1146\/annurev.pharmtox.42.091101.144224","volume":"42","author":"Shi L.","year":"2002","journal-title":"Annu. Rev. Pharmacol. 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