{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,18]],"date-time":"2025-10-18T10:24:46Z","timestamp":1760783086937},"reference-count":41,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2008,9,9]],"date-time":"2008-09-09T00:00:00Z","timestamp":1220918400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/www.springer.com\/tdm"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Aided Mol Des"],"published-print":{"date-parts":[[2009,1]]},"DOI":"10.1007\/s10822-008-9237-0","type":"journal-article","created":{"date-parts":[[2008,9,8]],"date-time":"2008-09-08T11:07:32Z","timestamp":1220872052000},"page":"49-61","source":"Crossref","is-referenced-by-count":10,"title":["Role of protein flexibility in the design of Bcl-XL targeting agents: insight from molecular dynamics"],"prefix":"10.1007","volume":"23","author":[{"given":"William","family":"Novak","sequence":"first","affiliation":[]},{"given":"Hongming","family":"Wang","sequence":"additional","affiliation":[]},{"given":"Goran","family":"Krilov","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2008,9,9]]},"reference":[{"key":"9237_CR1","doi-asserted-by":"crossref","first-page":"311","DOI":"10.2174\/1568011023354191","volume":"2","author":"SK Sharma","year":"2002","unstructured":"Sharma SK, Ramsey TM, Bair KW (2002) Curr Med Chem. Anti-Cancer Agents 2:311\u2013330. doi: 10.2174\/1568011023354191","journal-title":"Curr Med Chem. Anti-Cancer Agents"},{"key":"9237_CR2","doi-asserted-by":"crossref","first-page":"301","DOI":"10.1038\/nrd1343","volume":"3","author":"MR Arkin","year":"2004","unstructured":"Arkin MR, Wells JA (2004) Nat Rev Drug Discov 3:301\u2013317. doi: 10.1038\/nrd1343","journal-title":"Nat Rev Drug Discov"},{"key":"9237_CR3","doi-asserted-by":"crossref","first-page":"2462","DOI":"10.1002\/anie.200200558","volume":"42","author":"T Berg","year":"2003","unstructured":"Berg T (2003) Angew Chem Int Ed 42:2462\u20132481. doi: 10.1002\/anie.200200558","journal-title":"Angew Chem Int Ed"},{"key":"9237_CR4","doi-asserted-by":"crossref","first-page":"4130","DOI":"10.1002\/anie.200461786","volume":"44","author":"H Yin","year":"2005","unstructured":"Yin H, Hamilton AD (2005) Angew Chem Int Ed 44:4130\u20134163. doi: 10.1002\/anie.200461786","journal-title":"Angew Chem Int Ed"},{"key":"9237_CR5","doi-asserted-by":"crossref","first-page":"335","DOI":"10.1038\/381335a0","volume":"381","author":"SW Muchmore","year":"1996","unstructured":"Muchmore SW, Sattler M, Liang H et al (1996) Nature 381:335\u2013341. doi: 10.1038\/381335a0","journal-title":"Nature"},{"key":"9237_CR6","doi-asserted-by":"crossref","first-page":"677","DOI":"10.1038\/nature03579","volume":"435","author":"T Oltersdorf","year":"2005","unstructured":"Oltersdorf T, Elmore SW, Shoemaker AR et al (2005) Nature 435:677\u2013681. doi: 10.1038\/nature03579","journal-title":"Nature"},{"key":"9237_CR7","doi-asserted-by":"crossref","first-page":"615","DOI":"10.1016\/S0161-5890(02)00252-3","volume":"39","author":"C Borner","year":"2003","unstructured":"Borner C (2003) Mol Immunol 39:615\u2013647. doi: 10.1016\/S0161-5890(02)00252-3","journal-title":"Mol Immunol"},{"key":"9237_CR8","doi-asserted-by":"crossref","first-page":"647","DOI":"10.1038\/nrc883","volume":"2","author":"S Cory","year":"2002","unstructured":"Cory S, Adams JM (2002) Nat Rev Cancer 2:647\u2013656. doi: 10.1038\/nrc883","journal-title":"Nat Rev Cancer"},{"key":"9237_CR9","doi-asserted-by":"crossref","first-page":"203","DOI":"10.1038\/sj.cr.7310028","volume":"16","author":"MF Delft van","year":"2006","unstructured":"van Delft MF, Huang DC (2006) Cell Res 16:203\u2013213. doi: 10.1038\/sj.cr.7310028","journal-title":"Cell Res"},{"key":"9237_CR10","doi-asserted-by":"crossref","first-page":"115","DOI":"10.1016\/S1044-579X(02)00129-3","volume":"13","author":"L Coultas","year":"2003","unstructured":"Coultas L, Strasser A (2003) Semin Cancer Biol 13:115\u2013123. doi: 10.1016\/S1044-579X(02)00129-3","journal-title":"Semin Cancer Biol"},{"key":"9237_CR11","first-page":"229","volume":"1644","author":"V Kirkin","year":"2004","unstructured":"Kirkin V, Joos S, Zornig M (2004) BBA-Mol Cell Res 1644:229\u2013249","journal-title":"BBA-Mol Cell Res"},{"key":"9237_CR12","first-page":"6101","volume":"60","author":"SA Amundson","year":"2000","unstructured":"Amundson SA, Myers TG, Scudiero D et al (2000) Cancer Res 60:6101\u20136110","journal-title":"Cancer Res"},{"key":"9237_CR13","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/S1535-6108(02)00024-7","volume":"1","author":"DR Green","year":"2002","unstructured":"Green DR, Evan GI (2002) Cancer Cell 1:19\u201330. doi: 10.1016\/S1535-6108(02)00024-7","journal-title":"Cancer Cell"},{"key":"9237_CR14","doi-asserted-by":"crossref","first-page":"1165","DOI":"10.1021\/jm050754u","volume":"49","author":"MD Wendt","year":"2006","unstructured":"Wendt MD, Shen W, Kunzer A et al (2006) J Med Chem 49:1165\u20131181. doi: 10.1021\/jm050754u","journal-title":"J Med Chem"},{"key":"9237_CR15","doi-asserted-by":"crossref","first-page":"641","DOI":"10.1021\/jm061152t","volume":"50","author":"M Bruncko","year":"2007","unstructured":"Bruncko M, Oost TK, Belli BA et al (2007) J Med Chem 50:641\u2013662. doi: 10.1021\/jm061152t","journal-title":"J Med Chem"},{"key":"9237_CR16","doi-asserted-by":"crossref","first-page":"983","DOI":"10.1126\/science.275.5302.983","volume":"275","author":"M Sattler","year":"1997","unstructured":"Sattler M, Liang H, Nettesheim D et al (1997) Science 275:983\u2013986. doi: 10.1126\/science.275.5302.983","journal-title":"Science"},{"key":"9237_CR17","doi-asserted-by":"crossref","first-page":"2528","DOI":"10.1110\/ps.9.12.2528","volume":"9","author":"AM Petros","year":"2000","unstructured":"Petros AM, Nettesheim DG, Wang Y et al (2000) Protein Sci 9:2528\u20132534. doi: 10.1017\/S096183680000331X","journal-title":"Protein Sci"},{"key":"9237_CR18","first-page":"83","volume":"1644","author":"AM Petros","year":"2004","unstructured":"Petros AM, Olejniczak ET, Fesik SW (2004) BBA-Mol Cell Res 1644:83\u201394","journal-title":"BBA-Mol Cell Res"},{"key":"9237_CR19","doi-asserted-by":"crossref","first-page":"1531","DOI":"10.1126\/science.274.5292.1531","volume":"274","author":"SB Shuker","year":"1996","unstructured":"Shuker SB, Hajduk PJ, Meadows RP et al (1996) Science 274:1531\u20131534. doi: 10.1126\/science.274.5292.1531","journal-title":"Science"},{"key":"9237_CR20","doi-asserted-by":"crossref","first-page":"656","DOI":"10.1021\/jm0507532","volume":"49","author":"AM Petros","year":"2006","unstructured":"Petros AM, Dinges J, Augeri DJ et al (2006) J Med Chem 49:656\u2013663. doi: 10.1021\/jm0507532","journal-title":"J Med Chem"},{"key":"9237_CR21","doi-asserted-by":"crossref","first-page":"16206","DOI":"10.1021\/ja0650347","volume":"128","author":"CM Park","year":"2006","unstructured":"Park CM, Oie T, Petros AM et al (2006) J Am Chem Soc 128:16206\u201316212. doi: 10.1021\/ja0650347","journal-title":"J Am Chem Soc"},{"key":"9237_CR22","doi-asserted-by":"crossref","first-page":"6407","DOI":"10.1016\/j.bmc.2007.06.052","volume":"15","author":"CH Zheng","year":"2007","unstructured":"Zheng CH, Zhou YJ, Zhu J et al (2007) Bioorg Med Chem 15:6407\u20136417. doi: 10.1016\/j.bmc.2007.06.052","journal-title":"Bioorg Med Chem"},{"key":"9237_CR23","doi-asserted-by":"crossref","first-page":"13","DOI":"10.1023\/B:JCAM.0000022559.72848.1c","volume":"18","author":"M Pinto","year":"2004","unstructured":"Pinto M, Perez JJ, Rubio-Martinez J (2004) J Comput Aided Mol Des 18:13\u201322. doi: 10.1023\/B:JCAM.0000022559.72848.1c","journal-title":"J Comput Aided Mol Des"},{"key":"9237_CR24","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1002\/jcb.20893","volume":"99","author":"F Mancinelli","year":"2006","unstructured":"Mancinelli F, Caraglia M, Budillon A et al (2006) J Cell Biochem 99:305\u2013318. doi: 10.1002\/jcb.20893","journal-title":"J Cell Biochem"},{"key":"9237_CR25","doi-asserted-by":"crossref","first-page":"1099","DOI":"10.1016\/j.jmb.2007.04.069","volume":"371","author":"XR Fu","year":"2007","unstructured":"Fu XR, Apgar JR, Keating AE (2007) J Mol Biol 371:1099\u20131117. doi: 10.1016\/j.jmb.2007.04.069","journal-title":"J Mol Biol"},{"key":"9237_CR26","doi-asserted-by":"crossref","first-page":"3457","DOI":"10.1021\/jm070095g","volume":"50","author":"S Eyrisch","year":"2007","unstructured":"Eyrisch S, Helms V (2007) J Med Chem 50:3457\u20133464. doi: 10.1021\/jm070095g","journal-title":"J Med Chem"},{"key":"9237_CR27","doi-asserted-by":"crossref","first-page":"2159","DOI":"10.1074\/jbc.M306021200","volume":"279","author":"MK Manion","year":"2004","unstructured":"Manion MK, O\u2019Neill JW, Giedt CD et al (2004) J Biol Chem 279:2159\u20132165. doi: 10.1074\/jbc.M306021200","journal-title":"J Biol Chem"},{"key":"9237_CR28","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/0010-4655(95)00042-E","volume":"91","author":"HJC Berendsen","year":"1995","unstructured":"Berendsen HJC, Vanderspoel D, Vandrunen R (1995) Comput Phys Commun 91:43\u201356. doi: 10.1016\/0010-4655(95)00042-E","journal-title":"Comput Phys Commun"},{"key":"9237_CR29","doi-asserted-by":"crossref","first-page":"306","DOI":"10.1007\/s008940100045","volume":"7","author":"E Lindahl","year":"2001","unstructured":"Lindahl E, Hess B, van der Spoel D (2001) J Mol Model 7:306\u2013317","journal-title":"J Mol Model"},{"key":"9237_CR30","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1002\/jcc.20291","volume":"26","author":"D Spoel Van der","year":"2005","unstructured":"Van der Spoel D, Lindahl E, Hess B et al (2005) J Comput Chem 26:1701\u20131718. doi: 10.1002\/jcc.20291","journal-title":"J Comput Chem"},{"key":"9237_CR31","doi-asserted-by":"crossref","first-page":"11225","DOI":"10.1021\/ja9621760","volume":"118","author":"WL Jorgensen","year":"1996","unstructured":"Jorgensen WL, Maxwell DS, TiradoRives J (1996) J. Am. Chem. Soc 118:11225\u201311236. doi: 10.1021\/ja9621760","journal-title":"J. Am. Chem. Soc"},{"key":"9237_CR32","doi-asserted-by":"crossref","first-page":"6474","DOI":"10.1021\/jp003919d","volume":"105","author":"GA Kaminski","year":"2001","unstructured":"Kaminski GA, Friesner RA, Tirado-Rives J et al (2001) J Phys Chem B 105:6474\u20136487. doi: 10.1021\/jp003919d","journal-title":"J Phys Chem B"},{"key":"9237_CR33","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"WL Jorgensen","year":"1983","unstructured":"Jorgensen WL, Chandrasekhar J, Madura JD et al (1983) J Chem Phys 79:926\u2013935. doi: 10.1063\/1.445869","journal-title":"J Chem Phys"},{"key":"9237_CR34","doi-asserted-by":"crossref","first-page":"8577","DOI":"10.1063\/1.470117","volume":"103","author":"U Essmann","year":"1995","unstructured":"Essmann U, Perera L, Berkowitz ML et al (1995) J Chem Phys 103:8577\u20138593. doi: 10.1063\/1.470117","journal-title":"J Chem Phys"},{"key":"9237_CR35","doi-asserted-by":"crossref","first-page":"1695","DOI":"10.1103\/PhysRevA.31.1695","volume":"31","author":"WG Hoover","year":"1985","unstructured":"Hoover WG (1985) Phys Rev A 31:1695\u20131697. doi: 10.1103\/PhysRevA.31.1695","journal-title":"Phys Rev A"},{"key":"9237_CR36","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"HJC Berendsen","year":"1984","unstructured":"Berendsen HJC, Postma JPM, Vangunsteren WF et al (1984) J Chem Phys 81:3684\u20133690. doi: 10.1063\/1.448118","journal-title":"J Chem Phys"},{"key":"9237_CR37","doi-asserted-by":"crossref","first-page":"10983","DOI":"10.1021\/jp982533o","volume":"102","author":"A Ghosh","year":"1998","unstructured":"Ghosh A, Rapp CS, Friesner RA (1998) J Phys Chem B 102:10983\u201310990. doi: 10.1021\/jp982533o","journal-title":"J Phys Chem B"},{"key":"9237_CR38","doi-asserted-by":"crossref","first-page":"4139","DOI":"10.1063\/1.477019","volume":"109","author":"WK Otter den","year":"1998","unstructured":"den Otter WK, Briels WJ (1998) J Chem Phys 109:4139\u20134146. doi: 10.1063\/1.477019","journal-title":"J Chem Phys"},{"key":"9237_CR39","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1016\/0021-9991(77)90098-5","volume":"23","author":"JP Ryckaert","year":"1977","unstructured":"Ryckaert JP, Ciccotti G, Berendsen HJC (1977) J Comput Phys 23:327\u2013341. doi: 10.1016\/0021-9991(77)90098-5","journal-title":"J Comput Phys"},{"key":"9237_CR40","doi-asserted-by":"crossref","first-page":"1234","DOI":"10.1021\/ja011239y","volume":"124","author":"AA Lugovskoy","year":"2002","unstructured":"Lugovskoy AA, Degterev AI, Fahmy AF et al (2002) J Am Chem Soc 124:1234\u20131240. doi: 10.1021\/ja011239y","journal-title":"J Am Chem Soc"},{"key":"9237_CR41","doi-asserted-by":"crossref","first-page":"15458","DOI":"10.1074\/jbc.273.25.15458","volume":"273","author":"GB McGaughey","year":"1998","unstructured":"McGaughey GB, Gagne M, Rappe AK (1998) J Biol Chem 273:15458\u201315463. doi: 10.1074\/jbc.273.25.15458","journal-title":"J Biol Chem"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-008-9237-0.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-008-9237-0\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-008-9237-0","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,31]],"date-time":"2019-05-31T01:22:59Z","timestamp":1559265779000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-008-9237-0"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,9,9]]},"references-count":41,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2009,1]]}},"alternative-id":["9237"],"URL":"https:\/\/doi.org\/10.1007\/s10822-008-9237-0","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,9,9]]}}}