{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,10,31]],"date-time":"2025-10-31T07:18:09Z","timestamp":1761895089663},"reference-count":51,"publisher":"Springer Science and Business Media LLC","issue":"8","license":[{"start":{"date-parts":[[2010,5,21]],"date-time":"2010-05-21T00:00:00Z","timestamp":1274400000000},"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":[[2010,8]]},"DOI":"10.1007\/s10822-010-9366-0","type":"journal-article","created":{"date-parts":[[2010,5,20]],"date-time":"2010-05-20T08:48:29Z","timestamp":1274345309000},"page":"687-697","source":"Crossref","is-referenced-by-count":30,"title":["A computational analysis of the binding model of MDM2 with inhibitors"],"prefix":"10.1007","volume":"24","author":[{"given":"Guodong","family":"Hu","sequence":"first","affiliation":[]},{"given":"Dunyou","family":"Wang","sequence":"additional","affiliation":[]},{"given":"Xinguo","family":"Liu","sequence":"additional","affiliation":[]},{"given":"Qinggang","family":"Zhang","sequence":"additional","affiliation":[]}],"member":"297","published-online":{"date-parts":[[2010,5,21]]},"reference":[{"key":"9366_CR1","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1038\/35042675","volume":"408","author":"B Vogelstein","year":"2000","unstructured":"Vogelstein B, Lane D, Levine AJ (2000) Nature 408:307\u2013310","journal-title":"Nature"},{"key":"9366_CR2","doi-asserted-by":"crossref","first-page":"323","DOI":"10.1016\/S0092-8674(00)81871-1","volume":"88","author":"AJ Levine","year":"1997","unstructured":"Levine AJ (1997) Cell 88:323\u2013331","journal-title":"Cell"},{"key":"9366_CR3","doi-asserted-by":"crossref","first-page":"1126","DOI":"10.1101\/gad.7.7a.1126","volume":"7","author":"X Wu","year":"1993","unstructured":"Wu X, Bayle JH, Olson D, Levine AJ (1993) Genes Dev 7:1126\u20131132","journal-title":"Genes Dev"},{"key":"9366_CR4","doi-asserted-by":"crossref","first-page":"49","DOI":"10.1126\/science.1905840","volume":"253","author":"M Hollstein","year":"1991","unstructured":"Hollstein M, Sidransky D, Vogelstein B, Harris CC (1991) Science 253:49\u201353","journal-title":"Science"},{"key":"9366_CR5","doi-asserted-by":"crossref","first-page":"80","DOI":"10.1038\/358080a0","volume":"358","author":"JD Oliner","year":"1992","unstructured":"Oliner JD, Kinzler KW, Meltzer PS, George DL, Vogelstein B (1992) Nature 358:80\u201383","journal-title":"Nature"},{"key":"9366_CR6","doi-asserted-by":"crossref","first-page":"2813","DOI":"10.1021\/jm030213+","volume":"46","author":"SK Kumar","year":"2003","unstructured":"Kumar SK, Hager E, Pettit C, Gurulingappa H, Davidson NE, Khan SR (2003) J Med Chem 46:2813\u20132815","journal-title":"J Med Chem"},{"key":"9366_CR7","doi-asserted-by":"crossref","first-page":"102","DOI":"10.1038\/nrc991","volume":"3","author":"P Ch\u00e8ne","year":"2003","unstructured":"Ch\u00e8ne P (2003) Nat Rev Cancer 3:102\u2013109","journal-title":"Nat Rev Cancer"},{"key":"9366_CR8","doi-asserted-by":"crossref","first-page":"844","DOI":"10.1126\/science.1092472","volume":"303","author":"LT Vassilev","year":"2004","unstructured":"Vassilev LT, Vu BT, Graves B, Carvajal D, Podlaski F, Filipovic Z, Kong N, Kammlott U, Lukacs C, Klein C (2004) Science 303:844\u2013848","journal-title":"Science"},{"key":"9366_CR9","doi-asserted-by":"crossref","first-page":"10130","DOI":"10.1021\/ja051147z","volume":"127","author":"K Ding","year":"2005","unstructured":"Ding K, Lu Y, Nikolovska-Coleska Z, Qiu S, Ding Y, Gao W, Stuckey J, Krajewski K, Roller PP, Tomita Y, Parrish DA, Deschamps JR, Wang S (2005) J Am Chem Soc 127:10130\u201310131","journal-title":"J Am Chem Soc"},{"key":"9366_CR10","doi-asserted-by":"crossref","first-page":"909","DOI":"10.1021\/jm049137g","volume":"48","author":"BL Grasberger","year":"2005","unstructured":"Grasberger BL, Lu T, Schubert C, Parks DJ, Carver TE, Koblish HK, Cummings MD, LaFrance LV, Milkiewicz KL, Calvo RR, Maguire D, Lattanze J, Franks CF, Zhao S, Ramachandren K, Bylebyl GR, Zhang M, Manthey CL, Petrella EC, Pantoliano MW, Deckman IC, Spurlino JC, Maroney AC, Tomczuk BE, Molloy CJ, Bone RF (2005) J Med Chem 48:909\u2013912","journal-title":"J Med Chem"},{"key":"9366_CR11","doi-asserted-by":"crossref","first-page":"4491","DOI":"10.1021\/jm058174k","volume":"48","author":"LT Vassilev","year":"2005","unstructured":"Vassilev LT (2005) J Med Chem 48:4491\u20134499","journal-title":"J Med Chem"},{"key":"9366_CR12","doi-asserted-by":"crossref","first-page":"2704","DOI":"10.1002\/anie.200462316","volume":"44","author":"Y Hang","year":"2005","unstructured":"Hang Y, Gui-in L, Hyung Soon P, Gregory AP, Johanna MR, Said MS, Andrew DH (2005) Angew Chem Int Ed 44:2704\u20132707","journal-title":"Angew Chem Int Ed"},{"key":"9366_CR13","doi-asserted-by":"crossref","first-page":"8133","DOI":"10.1021\/ja990935j","volume":"121","author":"I Massova","year":"1999","unstructured":"Massova I, Kollman PA (1999) J Am Chem Soc 121:8133\u20138143","journal-title":"J Am Chem Soc"},{"key":"9366_CR14","doi-asserted-by":"crossref","first-page":"621","DOI":"10.1007\/s00214-009-0682-1","volume":"125","author":"SG Dastidar","year":"2010","unstructured":"Dastidar SG, Madhumalar A, Fuentes G, Lane DP, Verma CS (2010) Theor Chem Acct 125:621\u2013635","journal-title":"Theor Chem Acct"},{"key":"9366_CR15","doi-asserted-by":"crossref","first-page":"2930","DOI":"10.1021\/ja0678774","volume":"129","author":"H-F Chen","year":"2007","unstructured":"Chen H-F, Luo R (2007) J Am Chem Soc 129:2930\u20132937","journal-title":"J Am Chem Soc"},{"key":"9366_CR16","doi-asserted-by":"crossref","first-page":"365","DOI":"10.1002\/bip.20566","volume":"83","author":"LM Espinoza-Fonseca","year":"2006","unstructured":"Espinoza-Fonseca LM, Trujillo-Ferrara JG (2006) Biopolymer 83:365\u2013373","journal-title":"Biopolymer"},{"key":"9366_CR17","doi-asserted-by":"crossref","first-page":"948","DOI":"10.1126\/science.274.5289.948","volume":"274","author":"PH Kussie","year":"1996","unstructured":"Kussie PH, Gorina S, Marechal V, Elenbaas B, Moreau J, Levine AJ, Pavletich NP (1996) Science 274:948","journal-title":"Science"},{"key":"9366_CR18","doi-asserted-by":"crossref","first-page":"3432","DOI":"10.1021\/jm051122a","volume":"49","author":"K Ding","year":"2006","unstructured":"Ding K, Lu Y, Nikolovska-Coleska Z, Wang G, Qiu S, Shangary S, Gao W, Qin D, Stuckey J, Krajewski K, Roller PP, Wang S (2006) J Med Chem 49:3432\u20133435","journal-title":"J Med Chem"},{"key":"9366_CR19","doi-asserted-by":"crossref","first-page":"12809","DOI":"10.1021\/ja073687x","volume":"129","author":"AL Bowman","year":"2007","unstructured":"Bowman AL, Nikolovska-Coleska Z, Zhong H, Wang S, Carlson HA (2007) J Am Chem Soc 129:12809\u201312814","journal-title":"J Am Chem Soc"},{"key":"9366_CR20","doi-asserted-by":"crossref","first-page":"1235","DOI":"10.1101\/gad.8.10.1235","volume":"8","author":"J Lin","year":"1994","unstructured":"Lin J, Chen J, Elenbaas B, Levine AJ (1994) Genes Dev 8:1235\u20131246","journal-title":"Genes Dev"},{"key":"9366_CR21","first-page":"2523","volume":"9","author":"SM Picksley","year":"1994","unstructured":"Picksley SM, Vojtesek B, Sparks A, Lane DP (1994) Oncogene 9:2523\u20132529","journal-title":"Oncogene"},{"key":"9366_CR22","doi-asserted-by":"crossref","first-page":"11396","DOI":"10.1021\/jp8015886","volume":"112","author":"Y Ding","year":"2008","unstructured":"Ding Y, Mei Y, Zhang JZH (2008) J Phys Chem B 112:11396\u201311401","journal-title":"J Phys Chem B"},{"key":"9366_CR23","doi-asserted-by":"crossref","first-page":"211","DOI":"10.1146\/annurev.biophys.30.1.211","volume":"30","author":"W Wang","year":"2001","unstructured":"Wang W, Donini O, Reyes CM, Kollman PA (2001) Annu Rev Biophys Biomol Struct 30:211\u2013243","journal-title":"Annu Rev Biophys Biomol Struct"},{"key":"9366_CR24","doi-asserted-by":"crossref","first-page":"670","DOI":"10.1016\/S0006-3495(96)79267-6","volume":"71","author":"B Roux","year":"1996","unstructured":"Roux B, Nina M, Pom\u00e8s R, Smith JC (1996) Biophys J 71:670\u2013681","journal-title":"Biophys J"},{"key":"9366_CR25","doi-asserted-by":"crossref","first-page":"9663","DOI":"10.1021\/jp971990m","volume":"101","author":"JW Essex","year":"1997","unstructured":"Essex JW, Severance DL, Tirado-Rives J, Jorgensen WL (1997) J Phys Chem B 101:9663\u20139669","journal-title":"J Phys Chem B"},{"key":"9366_CR26","doi-asserted-by":"crossref","first-page":"6214","DOI":"10.1093\/nar\/gki916","volume":"33","author":"E Marco","year":"2005","unstructured":"Marco E, Negri A, Luque FJ, Gago F (2005) Nucleic Acids Res 33:6214\u20136224","journal-title":"Nucleic Acids Res"},{"key":"9366_CR27","doi-asserted-by":"crossref","first-page":"889","DOI":"10.1021\/ar000033j","volume":"33","author":"PA Kollman","year":"2000","unstructured":"Kollman PA, Massova I, Reyes C, Kuhn B, Huo S, Chong L, Lee M, Lee T, Duan Y, Wang W, Donini O, Cieplak P, Srinivasan J, Case DA, Cheatham TE (2000) Acc Chem Res 33:889\u2013897","journal-title":"Acc Chem Res"},{"key":"9366_CR28","doi-asserted-by":"crossref","first-page":"1244","DOI":"10.1002\/jcc.10120","volume":"23","author":"R Luo","year":"2002","unstructured":"Luo R, David L, Gilson MK (2002) J Comput Chem 23:1244\u20131253","journal-title":"J Comput Chem"},{"key":"9366_CR29","doi-asserted-by":"crossref","first-page":"2639","DOI":"10.1021\/ja0779250","volume":"130","author":"I Stoica","year":"2008","unstructured":"Stoica I, Sadiq SK, Coveney PV (2008) J Am Chem Soc 130:2639\u20132648","journal-title":"J Am Chem Soc"},{"key":"9366_CR30","doi-asserted-by":"crossref","first-page":"1177","DOI":"10.1021\/jm0609162","volume":"50","author":"TJ Hou","year":"2007","unstructured":"Hou TJ, Yu R (2007) J Med Chem 50:1177\u20131188","journal-title":"J Med Chem"},{"key":"9366_CR31","doi-asserted-by":"crossref","first-page":"7887","DOI":"10.1021\/ja060682b","volume":"128","author":"H Ode","year":"2006","unstructured":"Ode H, Neya S, Hata M, Sugiura W, Hoshino T (2006) J Am Chem Soc 128:7887\u20137895","journal-title":"J Am Chem Soc"},{"key":"9366_CR32","doi-asserted-by":"crossref","first-page":"1768","DOI":"10.1021\/jm061158i","volume":"50","author":"H Ode","year":"2007","unstructured":"Ode H, Matsuyama S, Hata M, Hoshino T, Kakizawa J, Sugiura W (2007) J Med Chem 50:1768\u20131777","journal-title":"J Med Chem"},{"key":"9366_CR33","doi-asserted-by":"crossref","first-page":"14937","DOI":"10.1073\/pnas.251265598","volume":"98","author":"W Wang","year":"2001","unstructured":"Wang W, Kollman PA (2001) Proc. Natl Acad Sci USA 98:14937\u201314942","journal-title":"Natl Acad Sci USA"},{"key":"9366_CR34","doi-asserted-by":"crossref","first-page":"227","DOI":"10.1016\/j.ejmech.2009.09.048","volume":"45","author":"G-D Hu","year":"2010","unstructured":"Hu G-D, Zhu T, Zhang S-L, Wang D, Zhang Q-G (2010) Eur J Med Chem 45:227\u2013235","journal-title":"Eur J Med Chem"},{"key":"9366_CR35","doi-asserted-by":"crossref","first-page":"26365","DOI":"10.1021\/jp065207e","volume":"110","author":"MDM AbdulHameed","year":"2006","unstructured":"AbdulHameed MDM, Hamza A, Zhan C-G (2006) J Phys Chem B 110:26365\u201326374","journal-title":"J Phys Chem B"},{"key":"9366_CR36","volume-title":"Gaussian 03, revision C.02","author":"MJ Frisch","year":"2004","unstructured":"Frisch MJ, Trucks GW, Schlegel HB, Scuseria GE, Robb MA, Cheeseman JR, Montgomery JA Jr, Vreven T, Kudin KN, Burant JC, Millam JM, Iyengar SS, Tomasi J, Barone V, Mennucci B, Cossi M, Scalmani G, Rega N, Petersson GA, Nakatsuji H, Hada M, Ehara M, Toyota K, Fukuda R, Hasegawa J, Ishida M, Nakajima T, Honda Y, Kitao O, Nakai H, Klene M, Li X, Knox JE, Hratchian HP, Cross JB, Bakken V, Adamo C, Jaramillo J, Gomperts R, Stratmann RE, Yazyev O, Austin AJ, Cammi R, Pomelli C, Ochterski JW, Ayala PY, Morokuma K, Voth GA, Salvador P, Dannenberg JJ, Zakrzewski VG, Dapprich S, Daniels AD, Strain MC, Farkas O, Malick DK, Rabuck AD, Raghavachari K, Foresman JB, Ortiz JV, Cui Q, Baboul AG, Clifford S, Cioslowski J, Stefanov BB, Liu G, Liashenko A, Piskorz P, Komaromi I, Martin RL, Fox DJ, Keith T, Al-Laham MA, Peng CY, Nanayakkara A, Challacombe M, Gill PMW, Johnson B, Chen W, Wong MW, Gonzalez C, Pople JA (2004) Gaussian 03, revision C.02. Gaussian Inc., Wallingford"},{"key":"9366_CR37","doi-asserted-by":"crossref","first-page":"5179","DOI":"10.1021\/ja00124a002","volume":"117","author":"WD Cornell","year":"2002","unstructured":"Cornell WD, Cieplak P, Bayly CI, Gould IR, Merz KM, Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA (2002) J Am Chem Soc 117:5179\u20135197","journal-title":"J Am Chem Soc"},{"key":"9366_CR38","doi-asserted-by":"crossref","first-page":"1357","DOI":"10.1002\/jcc.540161106","volume":"16","author":"P Cieplak","year":"1995","unstructured":"Cieplak P, Cornell WD, Bayly C, Kollman PA (1995) J Comput Chem 16:1357\u20131377","journal-title":"J Comput Chem"},{"key":"9366_CR39","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","volume":"25","author":"JM Wang","year":"2004","unstructured":"Wang JM, Wolf RM, Caldwell JW, Kollman PA, Case DA (2004) J Comput Chem 25:1157\u20131174","journal-title":"J Comput Chem"},{"key":"9366_CR40","doi-asserted-by":"crossref","first-page":"1999","DOI":"10.1002\/jcc.10349","volume":"24","author":"D Yong","year":"2003","unstructured":"Yong D, Chun W, Shibasish C, Mathew CL, Guoming X, Wei Z, Rong Y, Piotr C, Ray L, Taisung L, James C, Junmei W, Peter K (2003) J Comput Chem 24:1999\u20132012","journal-title":"J Comput Chem"},{"key":"9366_CR41","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, Impey RW, Klein ML (1983) J Chem Phys 79:926\u2013935","journal-title":"J Chem Phys"},{"key":"9366_CR42","doi-asserted-by":"crossref","first-page":"1145","DOI":"10.1002\/jcc.20634","volume":"28","author":"H Ruth","year":"2007","unstructured":"Ruth H, Garrett MM, Arthur JO, David SG (2007) J Comput Chem 28:1145\u20131152","journal-title":"J Comput Chem"},{"key":"9366_CR43","doi-asserted-by":"crossref","first-page":"178","DOI":"10.2174\/1570180043485581","volume":"1","author":"R Huey","year":"2004","unstructured":"Huey R, Goodsell DS, Morris GM, Olson AJ (2004) Lett Drug Des Discov 1:178\u2013183","journal-title":"Lett Drug Des Discov"},{"key":"9366_CR44","volume-title":"AMBER 9","author":"DA Case","year":"2006","unstructured":"Case DA, Darden TA, Cheatham TEIII, Simmerling CL, Wang J, Duke RE, Luo R, Merz KM, Pearlman DA, Crowley M, Walker RC, Zhang W, Wang B, Hayik S, Roitberg A, Seabra G, Wong KF, Paesani F, Wu X, Brozell S, Tsui V, Gohlke H, Yang L, Tan C, Mongan J, Hornak V, Cui G, Beroza P, Mathews DH, Schafmeister C, Ross WS, Kollman PA (2006) AMBER 9. University of California, San Francisco"},{"key":"9366_CR45","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","volume":"98","author":"T Darden","year":"1993","unstructured":"Darden T, York D, Pedersen L (1993) J Chem Phys 98:10089\u201310092","journal-title":"J Chem Phys"},{"key":"9366_CR46","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","journal-title":"J Comput Phys"},{"key":"9366_CR47","doi-asserted-by":"crossref","first-page":"305","DOI":"10.1002\/(SICI)1097-0282(199603)38:3<305::AID-BIP4>3.0.CO;2-Y","volume":"38","author":"FS Michel","year":"1996","unstructured":"Michel FS, Arthur JO, Jean-Claude S (1996) Biopolymers 38:305\u2013320","journal-title":"Biopolymers"},{"key":"9366_CR48","doi-asserted-by":"crossref","first-page":"1978","DOI":"10.1021\/j100058a043","volume":"98","author":"D Sitkoff","year":"1994","unstructured":"Sitkoff D, Sharp KA, Honig B (1994) J Phys Chem 98:1978\u20131988","journal-title":"J Phys Chem"},{"key":"9366_CR49","doi-asserted-by":"crossref","first-page":"285","DOI":"10.1016\/S0959-440X(94)90321-2","volume":"4","author":"DA Case","year":"1994","unstructured":"Case DA (1994) Curr Opin Struct Biol 4:285\u2013290","journal-title":"Curr Opin Struct Biol"},{"key":"9366_CR50","doi-asserted-by":"crossref","first-page":"4574","DOI":"10.1021\/jm060222t","volume":"49","author":"SB Rafi","year":"2006","unstructured":"Rafi SB, Cui G, Song K, Cheng X, Tonge PJ, Simmerling C (2006) J Med Chem 49:4574\u20134580","journal-title":"J Med Chem"},{"key":"9366_CR51","doi-asserted-by":"crossref","first-page":"8704","DOI":"10.1002\/chem.200800277","volume":"14","author":"EL Wu","year":"2008","unstructured":"Wu EL, Han KL, Zhang JZH (2008) Chem Eur J 14:8704\u20138714","journal-title":"Chem Eur J"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-010-9366-0.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-010-9366-0\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-010-9366-0","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2019,5,31]],"date-time":"2019-05-31T01:23:03Z","timestamp":1559265783000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-010-9366-0"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2010,5,21]]},"references-count":51,"journal-issue":{"issue":"8","published-print":{"date-parts":[[2010,8]]}},"alternative-id":["9366"],"URL":"https:\/\/doi.org\/10.1007\/s10822-010-9366-0","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2010,5,21]]}}}