{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T07:46:57Z","timestamp":1778053617216,"version":"3.51.4"},"reference-count":28,"publisher":"Springer Science and Business Media LLC","issue":"7","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2011,7]]},"DOI":"10.1007\/s10822-011-9454-9","type":"journal-article","created":{"date-parts":[[2011,7,5]],"date-time":"2011-07-05T12:18:13Z","timestamp":1309868293000},"page":"677-687","source":"Crossref","is-referenced-by-count":32,"title":["A comparative study of fragment screening methods on the p38\u03b1 kinase: new methods, new insights"],"prefix":"10.1007","volume":"25","author":[{"given":"Scott J.","family":"Pollack","sequence":"first","affiliation":[]},{"given":"Kim S.","family":"Beyer","sequence":"additional","affiliation":[]},{"given":"Christopher","family":"Lock","sequence":"additional","affiliation":[]},{"given":"Ilka","family":"M\u00fcller","sequence":"additional","affiliation":[]},{"given":"David","family":"Sheppard","sequence":"additional","affiliation":[]},{"given":"Mike","family":"Lipkin","sequence":"additional","affiliation":[]},{"given":"David","family":"Hardick","sequence":"additional","affiliation":[]},{"given":"Peter","family":"Blurton","sequence":"additional","affiliation":[]},{"given":"Philip M.","family":"Leonard","sequence":"additional","affiliation":[]},{"given":"Paul A.","family":"Hubbard","sequence":"additional","affiliation":[]},{"given":"Daniel","family":"Todd","sequence":"additional","affiliation":[]},{"given":"Christine M.","family":"Richardson","sequence":"additional","affiliation":[]},{"given":"Thomas","family":"Ahrens","sequence":"additional","affiliation":[]},{"given":"Manuel","family":"Baader","sequence":"additional","affiliation":[]},{"given":"Doris O.","family":"Hafenbradl","sequence":"additional","affiliation":[]},{"given":"Kate","family":"Hilyard","sequence":"additional","affiliation":[]},{"given":"Roland W.","family":"B\u00fcrli","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2011,7,6]]},"reference":[{"key":"9454_CR1","doi-asserted-by":"crossref","first-page":"260","DOI":"10.1016\/j.cbpa.2008.02.005","volume":"12","author":"T Hesterkamp","year":"2008","unstructured":"Hesterkamp T, Whittaker M (2008) Curr Opin Chem Biol 12:260\u2013268","journal-title":"Curr Opin Chem Biol"},{"key":"9454_CR2","doi-asserted-by":"crossref","first-page":"3661","DOI":"10.1021\/jm8000373","volume":"51","author":"M Congreve","year":"2008","unstructured":"Congreve M, Chessari G, Tisi D, Woodhead AJ (2008) J Med Chem 51:3661\u20133680","journal-title":"J Med Chem"},{"key":"9454_CR3","doi-asserted-by":"crossref","first-page":"430","DOI":"10.1016\/S1359-6446(04)03069-7","volume":"9","author":"AL Hopkins","year":"2004","unstructured":"Hopkins AL, Groom CR, Alex A (2004) Drug Discov Today 9:430\u2013431","journal-title":"Drug Discov Today"},{"key":"9454_CR4","doi-asserted-by":"crossref","first-page":"2449","DOI":"10.1021\/cr000241p","volume":"101","author":"Z Chen","year":"2001","unstructured":"Chen Z, Gibson TB, Robinson F, Silvestro L, Pearson G, Xu B, Wright A, Vanderbilt C, Cobb MH (2001) Chem Rev 101:2449\u20132476","journal-title":"Chem Rev"},{"key":"9454_CR5","doi-asserted-by":"crossref","first-page":"739","DOI":"10.1038\/372739a0","volume":"372","author":"JC Lee","year":"1994","unstructured":"Lee JC, Laydon JT, McDonnell PC, Gallagher TF, Kumar S, Green D, McNulty D, Blumenthal MJ, Heys JR, Landvatter SW, Strickler JE, McLaughlin MM, Siemens IR, Fisher SM, Livi GP, White JR, Adams JL, Young PR (1994) Nature 372:739\u2013746","journal-title":"Nature"},{"key":"9454_CR6","doi-asserted-by":"crossref","first-page":"2327","DOI":"10.1073\/pnas.94.6.2327","volume":"84","author":"Z Wang","year":"1997","unstructured":"Wang Z, Harkins PC, Ulevitch RJ, Han J, Cobb MH, Goldsmith EJ (1997) Proc Natl Acad Sci USA 84:2327\u20132332","journal-title":"Proc Natl Acad Sci USA"},{"key":"9454_CR7","doi-asserted-by":"crossref","first-page":"70","DOI":"10.1016\/j.jmb.2007.09.002","volume":"375","author":"R Diskin","year":"2008","unstructured":"Diskin R, Engelberg D, Livnah O (2008) J Mol Biol 375:70\u201379","journal-title":"J Mol Biol"},{"key":"9454_CR8","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.jmb.2009.06.005","volume":"391","author":"J Jefferson","year":"2009","unstructured":"Jefferson J, Perry P, Harris RM, Moiani D, Olson AJ, Tainer JA (2009) J Mol Biol 391:1\u201311","journal-title":"J Mol Biol"},{"key":"9454_CR9","doi-asserted-by":"crossref","first-page":"234","DOI":"10.1021\/cb1002619","volume":"6","author":"K Comess","year":"2011","unstructured":"Comess K, Sun C, Abad-Zapatero C, Goedken ER, Gum R, Borhani DW, Argiriadi M, Groebe D, Jia Y, Clampit J, Haasch D, Smith H, Wang S, Song D, Coen M, Cloutier T, Tang H, Cheng X, Quinn C, Liu B, Xin Z, Liu G, Fry E, Stoll V, Ng T, Banach D, Marcotte D, Burns D, Calderwood DJ, Hajduk PJ (2011) ACS Chem Biol 6:234\u2013244","journal-title":"ACS Chem Biol"},{"key":"9454_CR10","doi-asserted-by":"crossref","first-page":"876","DOI":"10.1016\/S1359-6446(03)02831-9","volume":"8","author":"M Congreve","year":"2003","unstructured":"Congreve M, Carr R, Murray C, Jhoti HH (2003) Drug Discov Today 8:876\u2013877","journal-title":"Drug Discov Today"},{"key":"9454_CR11","unstructured":"StarDrop Version 4.3. Optibrium. http:\/\/www.optibrium.com\/stardrop"},{"key":"9454_CR12","unstructured":"For a comparison of commcercial libraries, see http:\/\/homepage.mac.com\/swain\/CMC\/DDResources\/Hit_iden\/frag_coll_profiles.html"},{"key":"9454_CR13","unstructured":"ChEMBL_05 release: https:\/\/www.ebi.ac.uk\/chembldb\/index.php . Accessed 7 Apr 2011"},{"key":"9454_CR14","unstructured":"Accelrys pipeline pilot http:\/\/accelrys.com\/products\/pipeline-pilot . Accessed 7 Apr 2011"},{"key":"9454_CR15","unstructured":"Caliper LifeSciences Application note 210 http:\/\/www.caliperls.com\/assets\/009\/5902.pdf . Accessed 7 Apr 2011"},{"key":"9454_CR16","doi-asserted-by":"crossref","first-page":"54","DOI":"10.1016\/j.ab.2010.03.012","volume":"402","author":"MP Paterson","year":"2010","unstructured":"Paterson MP, Dusnmore CJ, Hurteaux R, Maltman BA, Cotton GJ, Gray A (2010) Anal Biochem 402:54\u201364","journal-title":"Anal Biochem"},{"key":"9454_CR17","doi-asserted-by":"crossref","first-page":"6929","DOI":"10.1039\/c0cc01901a","volume":"46","author":"BA Maltman","year":"2010","unstructured":"Maltman BA, Dunsmore CJ, Couturier SCM, Tirnaveanu AE, Delbederi Z, McMordie RAS, Naredo G, Ramage R, Cotton G (2010) Chem Commun 46:6929\u20136931","journal-title":"Chem Commun"},{"key":"9454_CR18","unstructured":"Otwinowski Z, Minor W (1997) In: Carter CW, Sweet RM (ed) Methods in enzymology, volume 276: macromolecular crystallography, part A. Academic Press, New York, pp. 307\u2013326"},{"key":"9454_CR19","first-page":"48","volume":"D62","author":"AGW Leslie","year":"2006","unstructured":"Leslie AGW (2006) Acta Cryst D62:48\u201357","journal-title":"Acta Cryst"},{"key":"9454_CR20","first-page":"72","volume":"D62","author":"P Evans","year":"2006","unstructured":"Evans P (2006) Acta Cryst D62:72\u201382","journal-title":"Acta Cryst"},{"key":"9454_CR21","first-page":"760","volume":"D50","author":"Collaborative Computational Project, Number 4","year":"1994","unstructured":"Collaborative Computational Project, Number 4 (1994) Acta Cryst D50:760\u2013763","journal-title":"Acta Cryst"},{"key":"9454_CR22","doi-asserted-by":"crossref","first-page":"658","DOI":"10.1107\/S0021889807021206","volume":"40","author":"AJ McCoy","year":"2007","unstructured":"McCoy AJ, Grosse-Kunstleve RW, Adams PD, Winn MD, Storoni LC, Read RJ (2007) J Appl Cryst 40:658\u2013674","journal-title":"J Appl Cryst"},{"key":"9454_CR23","first-page":"486","volume":"D66","author":"P Emsley","year":"2010","unstructured":"Emsley P, Lohkamp B, Scott WG, Cowtan K (2010) Acta Cryst D66:486\u2013501","journal-title":"Acta Cryst"},{"key":"9454_CR24","first-page":"240","volume":"D53","author":"GN Murshudov","year":"1997","unstructured":"Murshudov GN, Vagin AA, Dodson EJ (1997) Acta Cryst D53:240\u2013255","journal-title":"Acta Cryst"},{"key":"9454_CR25","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1002\/prot.10286","volume":"50","author":"SC Lovell","year":"2003","unstructured":"Lovell SC, Davis IW, Arendall WB III, de Bakker PIW, Word JM, Prisant MG, Richardson JS, Richardson DC (2003) Proteins Struct Funct Genet 50:437\u2013450","journal-title":"Proteins Struct Funct Genet"},{"key":"9454_CR26","doi-asserted-by":"crossref","unstructured":"Webb RL, Labaw CS (1982) J Het Chem 19:1205\u20131206","DOI":"10.1002\/jhet.5570190543"},{"key":"9454_CR27","doi-asserted-by":"crossref","unstructured":"Comley J, Drug Discovery World (2003) 2(Summer):91\u201398","DOI":"10.1038\/nrd1022"},{"key":"9454_CR28","doi-asserted-by":"crossref","first-page":"1029","DOI":"10.1177\/1087057110380455","volume":"15","author":"A B\u00f6ttcher","year":"2010","unstructured":"B\u00f6ttcher A, Ruedisser S, Erbel P, Vinzenz D, Schiering N, Hassiepen U, Rigollier P, Mayr LM, Woelcke J (2010) J Biomol Screen 15:1029\u20131041","journal-title":"J Biomol Screen"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/www.springerlink.com\/index\/pdf\/10.1007\/s10822-011-9454-9","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,6,12]],"date-time":"2019-06-12T19:13:11Z","timestamp":1560366791000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-011-9454-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011,7]]},"references-count":28,"journal-issue":{"issue":"7","published-print":{"date-parts":[[2011,7]]}},"alternative-id":["9454"],"URL":"https:\/\/doi.org\/10.1007\/s10822-011-9454-9","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2011,7]]}}}