{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,18]],"date-time":"2026-03-18T21:02:37Z","timestamp":1773867757569,"version":"3.50.1"},"reference-count":47,"publisher":"Springer Science and Business Media LLC","issue":"9","license":[{"start":{"date-parts":[[2006,11,11]],"date-time":"2006-11-11T00:00:00Z","timestamp":1163203200000},"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":[[2006,11,24]]},"DOI":"10.1007\/s10822-006-9084-9","type":"journal-article","created":{"date-parts":[[2006,11,10]],"date-time":"2006-11-10T11:23:57Z","timestamp":1163157837000},"page":"589-599","source":"Crossref","is-referenced-by-count":42,"title":["Comparative and pharmacophore model for deacetylase SIRT1"],"prefix":"10.1007","volume":"20","author":[{"given":"Tero","family":"Huhtiniemi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Carsten","family":"Wittekindt","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tuomo","family":"Laitinen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jukka","family":"Lepp\u00e4nen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Antero","family":"Salminen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Antti","family":"Poso","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maija","family":"Lahtela-Kakkonen","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"297","published-online":{"date-parts":[[2006,11,11]]},"reference":[{"key":"9084_CR1","doi-asserted-by":"crossref","first-page":"608","DOI":"10.1016\/j.tig.2005.08.009","volume":"21","author":"K Ekwall","year":"2005","unstructured":"Ekwall K (2005) Trends Genet 21:608","journal-title":"Trends Genet"},{"key":"9084_CR2","doi-asserted-by":"crossref","first-page":"1021","DOI":"10.1101\/gad.14.9.1021","volume":"14","author":"L Guarente","year":"2000","unstructured":"Guarente L (2000) Genes Dev 14:1021","journal-title":"Genes Dev"},{"key":"9084_CR3","doi-asserted-by":"crossref","first-page":"15456","DOI":"10.1021\/bi011858j","volume":"40","author":"AA Sauve","year":"2001","unstructured":"Sauve AA, Celic I, Avalos J, Deng H, Boeke JD, Schramm VL (2001) Biochemistry 40:15456","journal-title":"Biochemistry"},{"key":"9084_CR4","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1016\/S1097-2765(03)00038-8","volume":"11","author":"BJ North","year":"2003","unstructured":"North BJ, Marshall BL, Borra MT, Denu JM, Verdin E (2003) Mol Cell 11:437","journal-title":"Mol Cell"},{"key":"9084_CR5","doi-asserted-by":"crossref","first-page":"417","DOI":"10.1146\/annurev.biochem.73.011303.073651","volume":"73","author":"G Blander","year":"2004","unstructured":"Blander G, Guarente L (2004) Annu Rev Biochem 73:417","journal-title":"Annu Rev Biochem"},{"key":"9084_CR6","doi-asserted-by":"crossref","first-page":"94","DOI":"10.1016\/j.tips.2004.12.009","volume":"26","author":"M Porcu","year":"2005","unstructured":"Porcu M, Chiarugi A (2005) Trends Pharmacol Sci 26:94","journal-title":"Trends Pharmacol Sci"},{"key":"9084_CR7","doi-asserted-by":"crossref","first-page":"137","DOI":"10.1016\/S0092-8674(01)00524-4","volume":"107","author":"J Luo","year":"2001","unstructured":"Luo J, Nikolaev AY, Imai S, Chen D, Su F, Shiloh A, Guarente L, Gu W (2001) Cell 107:137","journal-title":"Cell"},{"key":"9084_CR8","doi-asserted-by":"crossref","first-page":"2011","DOI":"10.1126\/science.1094637","volume":"303","author":"A Brunet","year":"2004","unstructured":"Brunet A, Sweeney LB, Sturgill JF, Chua KF, Greer PL, Lin Y, Tran H, Ross SE, Mostoslavsky R, Cohen HY, Hu LS, Cheng HL, Jedrychowski MP, Gygi SP, Sinclair DA, Alt FW, Greenberg ME (2004) Science 303:2011","journal-title":"Science"},{"key":"9084_CR9","doi-asserted-by":"crossref","first-page":"16456","DOI":"10.1074\/jbc.M501485200","volume":"280","author":"S Nemoto","year":"2005","unstructured":"Nemoto S, Fergusson MM, Finkel T (2005) J Biol Chem 280:16456","journal-title":"J Biol Chem"},{"key":"9084_CR10","doi-asserted-by":"crossref","first-page":"113","DOI":"10.1038\/nature03354","volume":"434","author":"JT Rodgers","year":"2005","unstructured":"Rodgers JT, Lerin C, Haas W, Gygi SP, Spiegelman BM, Puigserver P (2005) Nature 434:113","journal-title":"Nature"},{"key":"9084_CR11","doi-asserted-by":"crossref","first-page":"191","DOI":"10.1038\/nature01960","volume":"425","author":"KT Howitz","year":"2003","unstructured":"Howitz KT, Bitterman KJ, Cohen HY, Lamming DW, Lavu S, Wood JG, Zipkin RE, Chung P, Kisielewski A, Zhang LL, Scherer B, Sinclair DA (2003) Nature 425:191","journal-title":"Nature"},{"key":"9084_CR12","doi-asserted-by":"crossref","first-page":"17038","DOI":"10.1074\/jbc.M500655200","volume":"280","author":"M Kaeberlein","year":"2005","unstructured":"Kaeberlein M, McDonagh T, Heltweg B, Hixon J, Westman EA, Caldwell SD, Napper A, Curtis R, DiStefano PS, Fields S, Bedalov A, Kennedy BK (2005) J Biol Chem 280:17038","journal-title":"J Biol Chem"},{"key":"9084_CR13","doi-asserted-by":"crossref","first-page":"17187","DOI":"10.1074\/jbc.M501250200","volume":"280","author":"MT Borra","year":"2005","unstructured":"Borra MT, Smith BC, Denu JM (2005) J Biol Chem 280:17187","journal-title":"J Biol Chem"},{"key":"9084_CR14","doi-asserted-by":"crossref","first-page":"45099","DOI":"10.1074\/jbc.M205670200","volume":"277","author":"KJ Bitterman","year":"2002","unstructured":"Bitterman KJ, Anderson RM, Cohen HY, Latorre-Esteves M, Sinclair DA (2002) J Biol Chem 277:45099","journal-title":"J Biol Chem"},{"key":"9084_CR15","doi-asserted-by":"crossref","first-page":"38837","DOI":"10.1074\/jbc.M106779200","volume":"276","author":"CM Grozinger","year":"2001","unstructured":"Grozinger CM, Chao ED, Blackwell HE, Moazed D, Schreiber SL (2001) J Biol Chem 276:38837","journal-title":"J Biol Chem"},{"key":"9084_CR16","doi-asserted-by":"crossref","first-page":"90","DOI":"10.1016\/j.ab.2004.05.039","volume":"332","author":"PA Marcotte","year":"2004","unstructured":"Marcotte PA, Richardson PR, Guo J, Barrett LW, Xu N, Gunasekera A, Glaser KB (2004) Anal Biochem 332:90","journal-title":"Anal Biochem"},{"key":"9084_CR17","doi-asserted-by":"crossref","first-page":"15113","DOI":"10.1073\/pnas.261574398","volume":"98","author":"A Bedalov","year":"2001","unstructured":"Bedalov A, Gatbonton T, Irvine WP, Gottschling DE, Simon JA (2001) Proc Natl Acad Sci USA 98:15113","journal-title":"Proc Natl Acad Sci USA"},{"key":"9084_CR18","doi-asserted-by":"crossref","first-page":"7789","DOI":"10.1021\/jm050100l","volume":"48","author":"A Mai","year":"2005","unstructured":"Mai A, Massa S, Lavu S, Pezzi R, Simeoni S, Ragno R, Mariotti FR, Chiani F, Camilloni G, Sinclair DA (2005) J Med Chem 48:7789","journal-title":"J Med Chem"},{"key":"9084_CR19","doi-asserted-by":"crossref","first-page":"8045","DOI":"10.1021\/jm050522v","volume":"48","author":"AD Napper","year":"2005","unstructured":"Napper AD, Hixon J, McDonagh T, Keavey K, Pons JF, Barker J, Yau WT, Amouzegh P, Flegg A, Hamelin E, Thomas RJ, Kates M, Jones S, Navia MA, Saunders JO, DiStefano PS, Curtis R (2005) J Med Chem 48:8045","journal-title":"J Med Chem"},{"key":"9084_CR20","doi-asserted-by":"crossref","first-page":"28","DOI":"10.1128\/MCB.26.1.28-38.2006","volume":"26","author":"JM Solomon","year":"2006","unstructured":"Solomon JM, Pasupuleti R, Xu L, McDonagh T, Curtis R, Distefano PS, Huber LJ (2006) Mol Cell Biol 26:28","journal-title":"Mol Cell Biol"},{"key":"9084_CR21","doi-asserted-by":"crossref","first-page":"793","DOI":"10.1006\/bbrc.2000.3000","volume":"273","author":"RA Frye","year":"2000","unstructured":"Frye RA (2000) Biochem Biophys Res Commun 273:793","journal-title":"Biochem Biophys Res Commun"},{"key":"9084_CR22","doi-asserted-by":"crossref","first-page":"621","DOI":"10.1038\/89668","volume":"8","author":"MS Finnin","year":"2001","unstructured":"Finnin MS, Donigian JR, Pavletich NP (2001) Nat Struct Biol 8:621","journal-title":"Nat Struct Biol"},{"key":"9084_CR23","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/S0092-8674(01)00317-8","volume":"105","author":"J Min","year":"2001","unstructured":"Min J, Landry J, Sternglanz R, Xu RM (2001) Cell 105:269","journal-title":"Cell"},{"key":"9084_CR24","doi-asserted-by":"crossref","first-page":"8563","DOI":"10.1073\/pnas.0401057101","volume":"101","author":"K Zhao","year":"2004","unstructured":"Zhao K, Harshaw R, Chai X, Marmorstein R (2004) Proc Natl Acad Sci USA 101:8563","journal-title":"Proc Natl Acad Sci USA"},{"key":"9084_CR25","doi-asserted-by":"crossref","first-page":"639","DOI":"10.1016\/S1097-2765(04)00082-6","volume":"13","author":"JL Avalos","year":"2004","unstructured":"Avalos JL, Boeke JD, Wolberger C (2004) Mol Cell 13:639","journal-title":"Mol Cell"},{"key":"9084_CR26","doi-asserted-by":"crossref","first-page":"899","DOI":"10.1107\/S0907444902003451","volume":"58","author":"HM Berman","year":"2002","unstructured":"Berman HM, Battistuz T, Bhat TN, Bluhm WF, Bourne PE, Burkhardt K, Feng Z, Gilliland GL, Iype L, Jain S, Fagan P, Marvin J, Padilla D, Ravichandran V, Schneider B, Thanki N, Weissig H, Westbrook JD, Zardecki C (2002) Acta Crystallogr D Biol Crystallogr 58:899","journal-title":"Acta Crystallogr D Biol Crystallogr"},{"key":"9084_CR27","unstructured":"Protein-protein BLAST (blastp), National Center for Biotechnology Information, Bethesda, U.S. (http:\/\/www.ncbi.nlm.nih.gov\/BLAST\/Blast.cgi)"},{"key":"9084_CR28","unstructured":"SAS, European Bioinformatics Institute, Cambridge, U.K. (http:\/\/www.ebi.ac.uk\/thornton-srv\/databases\/sas\/)"},{"key":"9084_CR29","unstructured":"InsightII v 2000, Accelrys, Inc., San Diego, CA (http:\/\/wwwaccelryscom\/)"},{"key":"9084_CR30","unstructured":"GROMACS, v. 3.1.4, Department of Biophysical Chemistry, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands (http:\/\/www.gromacs.org\/)"},{"key":"9084_CR31","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, Groenhof G, Mark AE, Berendsen HJ (2005) J Comput Chem 26:1701","journal-title":"J Comput Chem"},{"key":"9084_CR32","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1007\/BF00228148","volume":"8","author":"RA Laskowski","year":"1996","unstructured":"Laskowski RA, Rullmannn JA, MacArthur MW, Kaptein R, Thornton JM (1996) J Biomol NMR 8:477","journal-title":"J Biomol NMR"},{"key":"9084_CR33","unstructured":"GRID v. 1.2.2, Molecular Discovery Ltd., U.K. (http:\/\/www.moldiscovery.com\/)"},{"key":"9084_CR34","unstructured":"GOLD v. 3.0, Cambridge Crystallographic Data Centre, Cambridge, U.K. (http:\/\/www.ccdc.cam.ac.uk)"},{"key":"9084_CR35","unstructured":"SYBYL v. 7.1, Tripos Inc., St. Louis, MO (www.tripos.com)"},{"key":"9084_CR36","doi-asserted-by":"crossref","unstructured":"Zhao K, Chai X, Marmorstein R (2003) Structure 11:1403","DOI":"10.1016\/j.str.2003.09.016"},{"key":"9084_CR37","doi-asserted-by":"crossref","first-page":"855","DOI":"10.1016\/j.molcel.2005.02.022","volume":"17","author":"JL Avalos","year":"2005","unstructured":"Avalos JL, Bever KM, Wolberger C (2005) Mol Cell 17:855","journal-title":"Mol Cell"},{"key":"9084_CR38","doi-asserted-by":"crossref","first-page":"34489","DOI":"10.1074\/jbc.M205460200","volume":"277","author":"JH Chang","year":"2002","unstructured":"Chang JH, Kim HC, Hwang KY, Lee JW, Jackson SP, Bell SD, Cho Y (2002) J Biol Chem 277:34489","journal-title":"J Biol Chem"},{"key":"9084_CR39","doi-asserted-by":"crossref","first-page":"731","DOI":"10.1016\/j.jmb.2004.01.060","volume":"337","author":"K Zhao","year":"2004","unstructured":"Zhao K, Chai X, Marmorstein R (2004) J Mol Biol 337:731","journal-title":"J Mol Biol"},{"key":"9084_CR40","unstructured":"GeneDoc v. 2.6.002, Nicholas KB, Nicholas HB (http:\/\/www.psc.edu\/biomed\/genedock)"},{"key":"9084_CR41","doi-asserted-by":"crossref","unstructured":"Essman U, Perrera L, Berkowitz ML, Darden T, Lee H, Pedersen LG (1995) J Chem Phys 103:8577","DOI":"10.1063\/1.470117"},{"key":"9084_CR42","doi-asserted-by":"crossref","first-page":"54101","DOI":"10.1063\/1.1839571","volume":"122","author":"Y Shan","year":"2005","unstructured":"Shan Y, Klepeis JL, Eastwood MP, Dror RO, Shaw DE (2005) J Chem Phys 122:54101","journal-title":"J Chem Phys"},{"key":"9084_CR43","doi-asserted-by":"crossref","unstructured":"Berendsen HJC, Postma JPM, Van Gusteren WF, DiNola A, Haak JR (1984) J Chem Phys 81:3684","DOI":"10.1063\/1.448118"},{"key":"9084_CR44","doi-asserted-by":"crossref","first-page":"6292","DOI":"10.1021\/jm049933m","volume":"47","author":"AJ Tervo","year":"2004","unstructured":"Tervo AJ, Kyrylenko S, Niskanen P, Salminen A, Leppanen J, Nyronen TH, Jarvinen T, Poso A (2004) J Med Chem 47:6292","journal-title":"J Med Chem"},{"key":"9084_CR45","doi-asserted-by":"crossref","first-page":"523","DOI":"10.1016\/S1097-2765(02)00628-7","volume":"10","author":"JL Avalos","year":"2002","unstructured":"Avalos JL, Celic I, Muhammad S, Cosgrove MS, Boeke JD, Wolberger C (2002) Mol Cell 10:523","journal-title":"Mol Cell"},{"key":"9084_CR46","doi-asserted-by":"crossref","first-page":"188","DOI":"10.1038\/43710","volume":"401","author":"MS Finnin","year":"1999","unstructured":"Finnin MS, Donigian JR, Cohen A, Richon VM, Rifkind RA, Marks PA, Breslow R, Pavletich NP (1999) Nature 401:188","journal-title":"Nature"},{"key":"9084_CR47","doi-asserted-by":"crossref","first-page":"855","DOI":"10.1016\/j.molcel.2005.02.022","volume":"17","author":"Avalos","year":"2005","unstructured":"Avalos JL, Bever KM, Wolberger C (2005) Mol Cell 17:855","journal-title":"Mol Cell"}],"container-title":["Journal of Computer-Aided Molecular Design"],"original-title":[],"language":"en","link":[{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-006-9084-9.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/article\/10.1007\/s10822-006-9084-9\/fulltext.html","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/link.springer.com\/content\/pdf\/10.1007\/s10822-006-9084-9","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,5,9]],"date-time":"2023-05-09T18:14:11Z","timestamp":1683656051000},"score":1,"resource":{"primary":{"URL":"http:\/\/link.springer.com\/10.1007\/s10822-006-9084-9"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2006,11,11]]},"references-count":47,"journal-issue":{"issue":"9","published-print":{"date-parts":[[2006,11,24]]}},"alternative-id":["9084"],"URL":"https:\/\/doi.org\/10.1007\/s10822-006-9084-9","relation":{},"ISSN":["0920-654X","1573-4951"],"issn-type":[{"value":"0920-654X","type":"print"},{"value":"1573-4951","type":"electronic"}],"subject":[],"published":{"date-parts":[[2006,11,11]]}}}