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Chem."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"4488","DOI":"10.1021\/jm9004658","volume":"52","author":"Berellini G.","year":"2009","journal-title":"J. Med. Chem."},{"issue":"8","key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"2069","DOI":"10.1021\/ci300155y","volume":"52","author":"Berellini G.","year":"2012","journal-title":"J. Chem. Inf. Model."},{"issue":"6","key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"2172","DOI":"10.1021\/ci700018y","volume":"47","author":"Milletti F.","year":"2007","journal-title":"J. Chem. Inf. Model."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"4270","DOI":"10.1016\/j.ejmech.2010.06.026","volume":"45","author":"Milletti F.","year":"2010","journal-title":"Eur. J. Med. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"1003","DOI":"10.1128\/AAC.43.5.1003","volume":"43","author":"Mingeot-Leclercq M. P.","year":"1999","journal-title":"Antimicrob. 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