{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,26]],"date-time":"2026-03-26T19:20:21Z","timestamp":1774552821718,"version":"3.50.1"},"reference-count":40,"publisher":"Springer Science and Business Media LLC","issue":"6","license":[{"start":{"date-parts":[[2000,8,1]],"date-time":"2000-08-01T00:00:00Z","timestamp":965088000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"},{"start":{"date-parts":[[2000,8,1]],"date-time":"2000-08-01T00:00:00Z","timestamp":965088000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.springernature.com\/gp\/researchers\/text-and-data-mining"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2000,8]]},"DOI":"10.1023\/a:1008167930625","type":"journal-article","created":{"date-parts":[[2002,12,22]],"date-time":"2002-12-22T13:17:47Z","timestamp":1040563067000},"page":"573-591","source":"Crossref","is-referenced-by-count":36,"title":["A novel method of aligning molecules by local surface shape similarity"],"prefix":"10.1007","volume":"14","author":[{"given":"D.A.","family":"Cosgrove","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"D.M.","family":"Bayada","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"A.P.","family":"Johnson","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","reference":[{"key":"263369_CR1","doi-asserted-by":"crossref","first-page":"321","DOI":"10.1023\/A:1027280526177","volume":"9\u201311","author":"A.C. Good","year":"1998","unstructured":"Good, A.C. and Richards, W.G., Perspect. Drug Discov. Design, 9\u201311 (1998) 321.","journal-title":"Perspect. Drug Discov. Design"},{"key":"263369_CR2","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1016\/S0263-7855(89)80015-3","volume":"7","author":"R.S. Bohacek","year":"1989","unstructured":"Bohacek, R.S. and Guida, W.C., J. Mol. Graph., 7 (1989) 113.","journal-title":"J. Mol. Graph."},{"key":"263369_CR3","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1021\/ci00049a002","volume":"26","author":"T.R. Stouch","year":"1986","unstructured":"Stouch, T.R. and Jurs, P.C., J. Chem. Inf. Comput. Sci., 26 (1986) 4.","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"263369_CR4","doi-asserted-by":"crossref","first-page":"175","DOI":"10.1016\/0097-8485(83)85010-4","volume":"7","author":"M. Marsili","year":"1983","unstructured":"Marsili, M., Floersheim, P. and Dreiding, A.S., Comput. Chem., 7 (1983) 175.","journal-title":"Comput. Chem."},{"key":"263369_CR5","doi-asserted-by":"crossref","first-page":"1230","DOI":"10.1021\/jm00061a014","volume":"36","author":"B.B. Masek","year":"1993","unstructured":"Masek, B.B., Merchant, A. and Matthew, J.B., J. Med. Chem., 36 (1993) 1230.","journal-title":"J. Med. Chem."},{"key":"263369_CR6","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1021\/ci00007a002","volume":"32","author":"A.C. Good","year":"1992","unstructured":"Good, A.C., Hodgkin, E.E. and Richards, W.G., J. Chem. Inf. Comput. Sci., 32 (1992) 188.","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"263369_CR7","doi-asserted-by":"crossref","first-page":"491","DOI":"10.1023\/A:1008027706830","volume":"12","author":"C. Lemmen","year":"1998","unstructured":"Lemmen, C., Hiller, C. and Lengauer, T., J. Comput.-Aided Mol. Design, 12 (1998) 491.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"263369_CR8","doi-asserted-by":"crossref","first-page":"615","DOI":"10.1016\/0898-5529(90)90162-2","volume":"3","author":"S.K. Kearsley","year":"1990","unstructured":"Kearsley, S.K. and Smith, G.M., Tetrahedron Comput. Methodol., 3 (1990) 615.","journal-title":"Tetrahedron Comput. Methodol."},{"key":"263369_CR9","doi-asserted-by":"crossref","first-page":"1653","DOI":"10.1002\/(SICI)1096-987X(19961115)17:14<1653::AID-JCC7>3.0.CO;2-K","volume":"17","author":"J.A. Grant","year":"1996","unstructured":"Grant, J.A., Gallardo, M.A. and Pickup, B.T., J. Comput. Chem., 17 (1996) 1653.","journal-title":"J. Comput. Chem."},{"key":"263369_CR10","doi-asserted-by":"crossref","first-page":"934","DOI":"10.1002\/(SICI)1096-987X(199705)18:7<934::AID-JCC6>3.0.CO;2-S","volume":"18","author":"J. Mestres","year":"1997","unstructured":"Mestres, J., Rohrer, D.C. and Maggiora, G.M., J. Comput. Chem., 18 (1997) 934.","journal-title":"J. Comput. Chem."},{"key":"263369_CR11","doi-asserted-by":"crossref","first-page":"1185","DOI":"10.1002\/qua.560170612","volume":"17","author":"R. Carbo","year":"1980","unstructured":"Carbo, R., Leyda, L. and Arnau, M., Int. J. Quantum Chem., 17 (1980) 1185.","journal-title":"Int. J. Quantum Chem."},{"key":"263369_CR12","doi-asserted-by":"crossref","first-page":"638","DOI":"10.1002\/(SICI)1096-987X(19970415)18:5<638::AID-JCC5>3.0.CO;2-O","volume":"18","author":"J.W.M. Nissink","year":"1997","unstructured":"Nissink, J.W.M., Verdonk, M.L., Kroon, J., Mietzner, T. and Klebe, G., J. Comput. Chem., 18 (1997) 638.","journal-title":"J. Comput. Chem."},{"key":"263369_CR13","first-page":"173","volume-title":"3D QSAR in Drug Design: Theory, Methods and Applications","author":"G. I. Klebe","year":"1993","unstructured":"Klebe, G., In Kubinyi, H. (Ed.), 3D QSAR in Drug Design: Theory, Methods and Applications, ESCOM, Leiden, 1993, pp. 173\u2013199."},{"key":"263369_CR14","doi-asserted-by":"crossref","first-page":"2453","DOI":"10.1002\/j.1460-2075.1986.tb04521.x","volume":"5","author":"W. Bode","year":"1986","unstructured":"Bode, W., Wei, A., Huber, R., Meyer, E., Travis, J. and Neumann, S., EMBO J., 5 (1986) 2453.","journal-title":"EMBO J."},{"key":"263369_CR15","doi-asserted-by":"crossref","first-page":"3368","DOI":"10.1021\/ja00191a039","volume":"111","author":"L.H. Takahashi","year":"1989","unstructured":"Takahashi, L.H., Radhakrishnan, R. and Rosenfield Jr., R.E., J. Am. Chem. Soc., 111 (1989) 3368.","journal-title":"J. Am. Chem. Soc."},{"key":"263369_CR16","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1007\/BF00135311","volume":"5","author":"R.B. Hermann","year":"1991","unstructured":"Hermann, R.B. and Herron, D.K., J. Comput.-Aided Mol. Design, 5 (1991) 511.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"263369_CR17","doi-asserted-by":"crossref","first-page":"193","DOI":"10.1002\/prot.340170208","volume":"17","author":"B.B. Masek","year":"1993","unstructured":"Masek, B.B., Merchant, A. and Matthew, J.B., Proteins, 17 (1993) 193.","journal-title":"Proteins"},{"key":"263369_CR18","doi-asserted-by":"crossref","first-page":"479","DOI":"10.1007\/BF00124319","volume":"9","author":"T.D.J. Perkins","year":"1995","unstructured":"Perkins, T.D.J., Mills, J.E.J. and Dean, P.M., J. Comput.-Aided Mol. Design, 9 (1995) 479.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"263369_CR19","doi-asserted-by":"crossref","first-page":"150","DOI":"10.1007\/978-94-017-1120-3_5","volume-title":"Computer Simulation of Biomolecular Systems. Theoretical and Experimental Applications, Vol. 3","author":"J.A. Grant","year":"1997","unstructured":"Grant, J.A. and Pickup, B.T., In van Gunsteren, W.G., Weiner, P.K. and Wilkinson, A.J. (Eds), Computer Simulation of Biomolecular Systems. Theoretical and Experimental Applications, Vol. 3, Ch. 5, Kluwer\/ESCOM, Dordrecht, 1997, pp. 150\u2013176."},{"key":"263369_CR20","doi-asserted-by":"crossref","first-page":"97","DOI":"10.1016\/0263-7855(87)80007-3","volume":"5","author":"P.M. Dean","year":"1987","unstructured":"Dean, P.M. and Chau, P.-L., J. Mol. Graph., 5 (1987) 97.","journal-title":"J. Mol. Graph."},{"key":"263369_CR21","first-page":"153","volume":"5","author":"P.M. Dean","year":"1987","unstructured":"Dean, P.M. and Chau, P.-L., J. Mol. Graph., 5 (1987) 153.","journal-title":"J. Mol. Graph."},{"key":"263369_CR22","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/0263-7855(87)80065-6","volume":"5","author":"P.M. Dean","year":"1987","unstructured":"Dean, P.M. and Callow, P., J. Mol. Graph., 5 (1987) 159.","journal-title":"J. Mol. Graph."},{"key":"263369_CR23","doi-asserted-by":"crossref","first-page":"557","DOI":"10.1023\/A:1007966011516","volume":"11","author":"A.R. Poirrette","year":"1997","unstructured":"Poirrette, A.R., Artymiuk, P.J., Rice, D.W. and Willett, P., J. Comput.-Aided Mol. Design, 11 (1997) 557.","journal-title":"J. Comput.-Aided Mol. Design"},{"key":"263369_CR24","doi-asserted-by":"crossref","first-page":"263","DOI":"10.1093\/protein\/11.4.263","volume":"11","author":"M. Rosen","year":"1998","unstructured":"Rosen, M., Lin, S.L., Wolfson, H.J. and Nussinov, R., Protein Eng., 11 (1998) 263.","journal-title":"Protein Eng."},{"key":"263369_CR25","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1002\/(SICI)1097-0134(19990815)36:3<307::AID-PROT5>3.0.CO;2-R","volume":"36","author":"R. Norel","year":"1999","unstructured":"Norel, R., Petrey, D., Wolfson, H.J. and Nussinov, R., Proteins, 36 (1999) 307.","journal-title":"Proteins"},{"key":"263369_CR26","doi-asserted-by":"crossref","first-page":"220","DOI":"10.1002\/jcc.540120212","volume":"12","author":"P.D. Walker","year":"1991","unstructured":"Walker, P.D., Ateca, G.A. and Mezey, P.G., J. Comput. Chem., 12 (1991) 220.","journal-title":"J. Comput. Chem."},{"key":"263369_CR27","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1016\/0022-2836(71)90324-X","volume":"55","author":"B. Lee","year":"1971","unstructured":"Lee, B. and Richards, F.M., J. Mol. Biol., 55 (1971) 379.","journal-title":"J. Mol. Biol."},{"key":"263369_CR28","first-page":"90","volume-title":"Algorithmic Graph Theory","author":"J. McHugh","year":"1990","unstructured":"McHugh, J., Algorithmic Graph Theory, Prentice-Hall International Editions, New York, NY, 1990, pp. 90\u2013114."},{"key":"263369_CR29","doi-asserted-by":"crossref","first-page":"575","DOI":"10.1145\/362342.362367","volume":"16","author":"J. Kerbosch","year":"1973","unstructured":"Kerbosch, J. and Bron, C., Commun. ACM, 16 (1973) 575.","journal-title":"Commun. ACM"},{"key":"263369_CR30","doi-asserted-by":"crossref","first-page":"152","DOI":"10.1021\/ci00056a002","volume":"27","author":"A.T. Brint","year":"1987","unstructured":"Brint, A.T. and Willett, P., J. Chem. Inf. Comput. Sci., 27 (1987) 152.","journal-title":"J. Chem. Inf. Comput. Sci."},{"key":"263369_CR31","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1107\/S0108767387010535","volume":"A44","author":"R. Diamond","year":"1988","unstructured":"Diamond, R., Acta. Crystallogr., A44 (1988) 211.","journal-title":"Acta. Crystallogr."},{"key":"263369_CR32","doi-asserted-by":"crossref","first-page":"5959","DOI":"10.1021\/ja00226a005","volume":"110","author":"R.D. Cramer III","year":"1993","unstructured":"Cramer III, R.D., Patterson, D.E. and Bunce, J.D., J. Am. Chem. Soc., 110 (1993) 5959.","journal-title":"J. Am. Chem. Soc."},{"key":"263369_CR33","first-page":"443","volume-title":"3D QSAR in Drug Design. Theory, Methods and Applications","author":"R.D. Cramer III","year":"1993","unstructured":"Cramer III, R.D., DePriest, S.A., Patterson, D.E. and Hecht, P., In Kubinyi, H. (Ed.), 3D QSAR in Drug Design. Theory, Methods and Applications, ESCOM, Leiden, 1993, pp. 443\u2013z485."},{"key":"263369_CR34","doi-asserted-by":"crossref","first-page":"1187","DOI":"10.1002\/jcc.540111011","volume":"11","author":"S.K. Kearsley","year":"1990","unstructured":"Kearsley, S.K., J. Comput. Chem., 11 (1990) 1187.","journal-title":"J. Comput. Chem."},{"key":"263369_CR35","doi-asserted-by":"crossref","first-page":"1279","DOI":"10.1002\/pro.5560011006","volume":"1","author":"R. Diamond","year":"1992","unstructured":"Diamond, R., Protein Sci., 1 (1992) 1279.","journal-title":"Protein Sci."},{"key":"263369_CR36","doi-asserted-by":"crossref","first-page":"114","DOI":"10.1016\/S1093-3263(97)00003-X","volume":"15","author":"J. Mestres","year":"1997","unstructured":"Mestres, J., Maggiora, G.M. and Rohrer, D.C., J. Mol. Graph., 15 (1997) 114.","journal-title":"J. Mol. Graph."},{"key":"263369_CR37","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1016\/S0097-8493(97)00085-X","volume":"22","author":"E.O. Purisima","year":"1998","unstructured":"Purisima, E.O. and Chan, S.L., Comput. Graph., 22 (1998) 83.","journal-title":"Comput. Graph."},{"key":"263369_CR38","doi-asserted-by":"crossref","first-page":"1230","DOI":"10.1021\/jm00061a014","volume":"36","author":"B.B. Masek","year":"1993","unstructured":"Masek, B.B., Merchant, A. and Matthew, J.B., J. Med. Chem., 36 (1993) 1230.","journal-title":"J. Med. Chem."},{"key":"263369_CR39","doi-asserted-by":"crossref","first-page":"2588","DOI":"10.1002\/anie.199625881","volume":"35","author":"H.-J. B\u00f6hm","year":"1996","unstructured":"B\u00f6hm, H.-J. and Klebe, G., Angew. Chem. Int. Ed. Engl., 35 (1996) 2588.","journal-title":"Angew. Chem. Int. Ed. Engl."},{"key":"263369_CR40","unstructured":"Jewbury, P.J., Private communication."}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1008167930625.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/article\/10.1023\/A:1008167930625\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/link.springer.com\/content\/pdf\/10.1023\/A:1008167930625.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,5]],"date-time":"2025-06-05T11:43:56Z","timestamp":1749123836000},"score":1,"resource":{"primary":{"URL":"https:\/\/link.springer.com\/10.1023\/A:1008167930625"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000,8]]},"references-count":40,"journal-issue":{"issue":"6","published-print":{"date-parts":[[2000,8]]}},"alternative-id":["263369"],"URL":"https:\/\/doi.org\/10.1023\/a:1008167930625","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2000,8]]}}}