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Soc."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"8377","DOI":"10.1016\/j.tetlet.2005.09.155","volume":"46","author":"Lasa M.","year":"2005","journal-title":"Tetrahedron Lett."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"5762","DOI":"10.1021\/jp0542569","volume":"110","author":"Casanovas J.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"6091","DOI":"10.1021\/ol062600u","volume":"8","author":"Crisma M.","year":"2006","journal-title":"Org. Lett."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"251","DOI":"10.1002\/chem.200500865","volume":"12","author":"Crisma M.","year":"2006","journal-title":"Chem.--Eur. J."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"644","DOI":"10.1021\/jo702107s","volume":"73","author":"Casanovas J.","year":"2008","journal-title":"J. Org. Chem."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"2403","DOI":"10.1021\/jo802704h","volume":"74","author":"Revilla-L\u00f3pez G.","year":"2009","journal-title":"J. Org. Chem."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"5721","DOI":"10.1073\/pnas.0404530102","volume":"102","author":"Main E. R. G.","year":"2005","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"2679","DOI":"10.1073\/pnas.0604653104","volume":"104","author":"Lowe A. R.","year":"2007","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"280","DOI":"10.1002\/prot.20930","volume":"65","author":"Binz H. 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Biol."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"1589","DOI":"10.1021\/cr040426m","volume":"106","author":"Adcock S. A.","year":"2006","journal-title":"Chem. Rev."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"1400","DOI":"10.1002\/jcc.20065","volume":"25","author":"MacKerell A. D.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"5179","DOI":"10.1021\/ja00124a002","volume":"117","author":"Cornell W. D.","year":"1995","journal-title":"J. Am. Chem. Soc."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1002\/jcc.20289","volume":"26","author":"Phillips J. C.","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1006\/jsbi.1998.3985","volume":"122","author":"Jenkins J.","year":"1998","journal-title":"J. Struct. 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