{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,22]],"date-time":"2025-12-22T10:58:55Z","timestamp":1766401135304},"reference-count":72,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2009,2,23]]},"DOI":"10.1021\/ci8003094","type":"journal-article","created":{"date-parts":[[2009,1,28]],"date-time":"2009-01-28T17:28:46Z","timestamp":1233163726000},"page":"280-294","source":"Crossref","is-referenced-by-count":40,"title":["Computational Fragment-Based Approach at PDB Scale by Protein Local Similarity"],"prefix":"10.1021","volume":"49","author":[{"given":"Fabrice","family":"Moriaud","sequence":"first","affiliation":[{"name":"MEDIT SA, 2 rue du Belv\u00e9d\u00e8re, 91120 Palaiseau, France, and IBBMC, Universit\u00e9 Paris Sud CNRS UMR-8619, Orsay 91405, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Olivia","family":"Doppelt-Azeroual","sequence":"additional","affiliation":[{"name":"MEDIT SA, 2 rue du Belv\u00e9d\u00e8re, 91120 Palaiseau, France, and IBBMC, Universit\u00e9 Paris Sud CNRS UMR-8619, Orsay 91405, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Laetitia","family":"Martin","sequence":"additional","affiliation":[{"name":"MEDIT SA, 2 rue du Belv\u00e9d\u00e8re, 91120 Palaiseau, France, and IBBMC, Universit\u00e9 Paris Sud CNRS UMR-8619, Orsay 91405, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ksenia","family":"Oguievetskaia","sequence":"additional","affiliation":[{"name":"MEDIT SA, 2 rue du Belv\u00e9d\u00e8re, 91120 Palaiseau, France, and IBBMC, Universit\u00e9 Paris Sud CNRS UMR-8619, Orsay 91405, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kerstin","family":"Koch","sequence":"additional","affiliation":[{"name":"MEDIT SA, 2 rue du Belv\u00e9d\u00e8re, 91120 Palaiseau, France, and IBBMC, Universit\u00e9 Paris Sud CNRS UMR-8619, Orsay 91405, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Artem","family":"Vorotyntsev","sequence":"additional","affiliation":[{"name":"MEDIT SA, 2 rue du Belv\u00e9d\u00e8re, 91120 Palaiseau, France, and IBBMC, Universit\u00e9 Paris Sud CNRS UMR-8619, Orsay 91405, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Stewart A.","family":"Adcock","sequence":"additional","affiliation":[{"name":"MEDIT SA, 2 rue du Belv\u00e9d\u00e8re, 91120 Palaiseau, France, and IBBMC, Universit\u00e9 Paris Sud CNRS UMR-8619, Orsay 91405, France"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Fran\u00e7ois","family":"Delfaud","sequence":"additional","affiliation":[{"name":"MEDIT SA, 2 rue du Belv\u00e9d\u00e8re, 91120 Palaiseau, France, and IBBMC, Universit\u00e9 Paris Sud CNRS UMR-8619, Orsay 91405, France"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2009,1,28]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"235","DOI":"10.1093\/nar\/28.1.235","volume":"28","author":"Berman H. M.","year":"2000","journal-title":"Nucleic Acids Res."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"2605","DOI":"10.1021\/jp952516o","volume":"100","author":"Allen K. N.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"779","DOI":"10.1021\/cb700240b","volume":"2","author":"Erlanson D. A.","year":"2007","journal-title":"ACS Chem. Biol."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"87","DOI":"10.1007\/s10858-007-9183-5","volume":"39","author":"Jahnke W.","year":"2007","journal-title":"J. Biomol. NMR"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"430","DOI":"10.1039\/b610069b","volume":"2","author":"Leach A. R.","year":"2006","journal-title":"Mol. Biosyst."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"895","DOI":"10.1016\/S1359-6446(05)03484-7","volume":"10","author":"Congreve M.","year":"2005","journal-title":"Drug Discovery Today"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1531","DOI":"10.1126\/science.274.5292.1531","volume":"274","author":"Shuker S. B.","year":"1996","journal-title":"Science"},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"4992","DOI":"10.1021\/jm060490r","volume":"49","author":"Ciulli A.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref9\/cit9","first-page":"365","volume-title":"Structure-Based Drug Design","author":"Verlinde C. L.","year":"1997"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"2293","DOI":"10.1021\/jm070091b","volume":"50","author":"Saxty G.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1038\/nrd2220","volume":"6","author":"Hajduk P. J.","year":"2007","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"340","DOI":"10.1002\/prot.10287","volume":"51","author":"Kortvelyesi T.","year":"2003","journal-title":"Proteins"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"962","DOI":"10.1021\/jm049798d","volume":"48","author":"Cummings M. D.","year":"2005","journal-title":"J. Med. Chem."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"131","DOI":"10.1002\/jmr.300060305","volume":"6","author":"Bohm H. J.","year":"1993","journal-title":"J. Mol. Recognit."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"649","DOI":"10.1038\/nrd1799","volume":"4","author":"Schneider G.","year":"2005","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"849","DOI":"10.1021\/jm00145a002","volume":"28","author":"Goodford P. J.","year":"1985","journal-title":"J. Med. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1002\/prot.340110104","volume":"11","author":"Miranker A.","year":"1991","journal-title":"Proteins"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1007\/s10822-007-9119-x","volume":"21","author":"Evensen E.","year":"2007","journal-title":"J. Comput.-Aided Mol. Des"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"337","DOI":"10.1021\/jm030331x","volume":"47","author":"Deng Z.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"2768","DOI":"10.1021\/jm030543u","volume":"47","author":"Pierce A. C.","year":"2004","journal-title":"J. Med. Chem."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"387","DOI":"10.1016\/S0022-2836(02)00811-2","volume":"323","author":"Schmitt S.","year":"2002","journal-title":"J. Mol. Biol."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1006\/jmbi.1994.1657","volume":"243","author":"Artymiuk P. J.","year":"1994","journal-title":"J. Mol. Biol."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"2308","DOI":"10.1002\/pro.5560061104","volume":"6","author":"Wallace A. C.","year":"1997","journal-title":"Protein Sci."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1002\/prot.10339","volume":"52","author":"Jambon M.","year":"2003","journal-title":"Proteins"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"1644","DOI":"10.1093\/bioinformatics\/btg226","volume":"19","author":"Barker J. A.","year":"2003","journal-title":"Bioinformatics"},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"1307","DOI":"10.1016\/S0022-2836(03)00045-7","volume":"326","author":"Stark A.","year":"2003","journal-title":"J. Mol. Biol."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"W337","DOI":"10.1093\/nar\/gki482","volume":"33","author":"Shulman-Peleg A.","year":"2005","journal-title":"Nucleic Acids Res."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"1112","DOI":"10.1016\/j.jmb.2005.11.044","volume":"355","author":"Gold N. D.","year":"2006","journal-title":"J. Mol. Biol."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"349","DOI":"10.1002\/prot.21487","volume":"69","author":"Ramensky V.","year":"2007","journal-title":"Proteins"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1021\/ci970429i","volume":"38","author":"Lewell X. Q.","year":"1998","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"3929","DOI":"10.1093\/bioinformatics\/bti645","volume":"21","author":"Jambon M.","year":"2005","journal-title":"Bioinformatics"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"357","DOI":"10.6026\/97320630001357","volume":"1","author":"Doppelt O.","year":"2007","journal-title":"Bioinformation"},{"key":"ref33\/cit33","unstructured":"Jambon, M.A bioinformatic system for searching functional similarities in 3D structures of proteins;Universit\u00e9 Claude Bernard Lyon 1, 2003."},{"key":"ref34\/cit34","unstructured":"Release of remediated PDB archive.ftp:\/\/ftp.wwpdb.org\/(accessed July 16, 2008) ."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"991","DOI":"10.1021\/ci050400b","volume":"46","author":"Guha R.","year":"2006","journal-title":"J. Chem. Inf. Model"},{"key":"ref36\/cit36","unstructured":"The Open Babel Package.http:\/\/openbabel.sourceforge.net\/(accessed July 5, 2008)."},{"key":"ref37\/cit37","unstructured":"CTFile Formats.www.mdl.com\/downloads\/public\/ctfile\/ctfile.pdf(accessed November 1, 2007)."},{"key":"ref38\/cit38","unstructured":"The PubChem Project.http:\/\/pubchem.ncbi.nlm.nih.gov(accessed June 9, 2008)."},{"key":"ref39\/cit39","unstructured":"SQLite.http:\/\/oandrieu.nerim.net\/ocaml\/mlsqlite\/(accessed October 26, 2008)."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"4453","DOI":"10.1021\/jm0611051","volume":"50","author":"Hasegawa M.","year":"2007","journal-title":"J. Med. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/j.bmcl.2004.10.084","volume":"15","author":"Ghosh A. K.","year":"2005","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"31","DOI":"10.1021\/ci00057a005","volume":"28","author":"Weininger D.","year":"1988","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1021\/ci00062a008","volume":"29","author":"Weininger D.","year":"1989","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"D281","DOI":"10.1093\/nar\/gkm960","volume":"36","author":"Finn R. D.","year":"2008","journal-title":"Nucleic Acids Res."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"430","DOI":"10.1016\/S1359-6446(04)03069-7","volume":"9","author":"Hopkins A. L.","year":"2004","journal-title":"Drug Discovery Today"},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"1258","DOI":"10.1126\/science.1150577","volume":"318","author":"Cherezov V.","year":"2007","journal-title":"Science"},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"2887","DOI":"10.1021\/jm9602928","volume":"39","author":"Bemis G. W.","year":"1996","journal-title":"J. Med. Chem."},{"key":"ref51\/cit51","unstructured":"Daylight fingerprints.http:\/\/www.daylight.com\/dayhtml\/doc\/theory\/theory.finger.html(accessed November 1, 2007)."},{"key":"ref52\/cit52","unstructured":"Tanimoto, T. T.IBM Internal Report 17th Nov.; IBM: 1957."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"104","DOI":"10.1186\/1471-2105-9-104","volume":"9","author":"Gao Z.","year":"2008","journal-title":"BMC Bioinf."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"1908","DOI":"10.1093\/bioinformatics\/bti315","volume":"21","author":"Laurie A. T.","year":"2005","journal-title":"Bioinformatics"},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"876","DOI":"10.1016\/S1359-6446(03)02831-9","volume":"8","author":"Congreve M.","year":"2003","journal-title":"Drug Discovery Today"},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"219","DOI":"10.1016\/S1367-5931(97)80013-0","volume":"1","author":"Taylor S. S.","year":"1997","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1016\/0014-5793(95)00580-3","volume":"369","author":"Bossemeyer D.","year":"1995","journal-title":"FEBS Lett."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"462","DOI":"10.1021\/ar0201207","volume":"36","author":"Levitzki A.","year":"2003","journal-title":"Acc. Chem. Res."},{"key":"ref59\/cit59","first-page":"701","volume":"5","author":"Fabbro D.","year":"2002","journal-title":"Curr. Opin. Drug Discovery Dev."},{"key":"ref60\/cit60","first-page":"4236","volume":"62","author":"Nagar B.","year":"2002","journal-title":"Cancer Res."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"55827","DOI":"10.1074\/jbc.M409792200","volume":"279","author":"Atwell S.","year":"2004","journal-title":"J. Biol. Chem."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"6789","DOI":"10.1021\/jm0608356","volume":"49","author":"Huang N.","year":"2006","journal-title":"J. Med. Chem."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"1945","DOI":"10.1016\/j.bmcl.2008.01.121","volume":"18","author":"Schroeder G. M.","year":"2008","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1038\/nrd2518","volume":"7","author":"Lagerstrom M. C.","year":"2008","journal-title":"Nat. Rev. Drug Discovery"},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"639","DOI":"10.1038\/nrm908","volume":"3","author":"Pierce K. L.","year":"2002","journal-title":"Nat. Rev. Mol. Cell Biol."},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"643","DOI":"10.1016\/j.molcel.2006.11.007","volume":"24","author":"Lefkowitz R. J.","year":"2006","journal-title":"Mol. Cell"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1016\/j.ygeno.2006.04.001","volume":"88","author":"Bjarnadottir T. K.","year":"2006","journal-title":"Genomics"},{"key":"ref68\/cit68","first-page":"24","volume":"7","author":"Filmore D.","year":"2004","journal-title":"ACS Modern Drug Discovery"},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"739","DOI":"10.1126\/science.289.5480.739","volume":"289","author":"Palczewski K.","year":"2000","journal-title":"Science"},{"key":"ref70\/cit70","doi-asserted-by":"crossref","first-page":"16123","DOI":"10.1073\/pnas.0608022103","volume":"103","author":"Salom D.","year":"2006","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"383","DOI":"10.1038\/nature06325","volume":"450","author":"Rasmussen S. G.","year":"2007","journal-title":"Nature"},{"key":"ref72\/cit72","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":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"486","DOI":"10.1038\/nature07101","volume":"454","author":"Warne T.","year":"2008","journal-title":"Nature"},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"1598","DOI":"10.1016\/j.bmcl.2008.01.063","volume":"18","author":"Topiol S.","year":"2008","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"1266","DOI":"10.1126\/science.1150609","volume":"318","author":"Rosenbaum D. M.","year":"2007","journal-title":"Science"}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci8003094","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,9]],"date-time":"2023-03-09T09:48:28Z","timestamp":1678355308000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci8003094"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,1,28]]},"references-count":72,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2009,2,23]]}},"alternative-id":["10.1021\/ci8003094"],"URL":"https:\/\/doi.org\/10.1021\/ci8003094","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2009,1,28]]}}}