{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,9,23]],"date-time":"2025-09-23T13:04:55Z","timestamp":1758632695291},"reference-count":44,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2012,2,27]]},"DOI":"10.1021\/ci200364m","type":"journal-article","created":{"date-parts":[[2012,1,16]],"date-time":"2012-01-16T08:09:36Z","timestamp":1326701376000},"page":"449-456","source":"Crossref","is-referenced-by-count":23,"title":["Understanding Product Specificity of Protein Lysine Methyltransferases from QM\/MM Molecular Dynamics and Free Energy Simulations: The Effects of Mutation on SET7\/9 beyond the Tyr\/Phe Switch"],"prefix":"10.1021","volume":"52","author":[{"given":"Jianzhuang","family":"Yao","sequence":"first","affiliation":[{"name":"Department of Biochemistry and Cellular and Molecular Biology and \u2021National Institute for Mathematical and Biological Synthesis, University of Tennessee, Knoxville, Tennessee 37996, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yuzhuo","family":"Chu","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Cellular and Molecular Biology and \u2021National Institute for Mathematical and Biological Synthesis, University of Tennessee, Knoxville, Tennessee 37996, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ran","family":"An","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Cellular and Molecular Biology and \u2021National Institute for Mathematical and Biological Synthesis, University of Tennessee, Knoxville, Tennessee 37996, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Hong","family":"Guo","sequence":"additional","affiliation":[{"name":"Department of Biochemistry and Cellular and Molecular Biology and \u2021National Institute for Mathematical and Biological Synthesis, University of Tennessee, Knoxville, Tennessee 37996, United States"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"316","published-online":{"date-parts":[[2012,2,16]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"3121","DOI":"10.1111\/j.1742-4658.2006.05343.x","volume":"273","author":"Jenuwein T.","year":"2006","journal-title":"FEBS J."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"838","DOI":"10.1038\/nrm1761","volume":"6","author":"Martin C.","year":"2005","journal-title":"Nat. Rev. Mol. Cell Biol."},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1038\/47412","volume":"403","author":"Strahl B. D.","year":"2000","journal-title":"Nature"},{"key":"ref4\/cit4","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1146\/annurev.biophys.34.040204.144452","volume":"34","author":"Cheng X.","year":"2005","journal-title":"Annu. Rev. Biophys. Biomol. Struct."},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"699","DOI":"10.1016\/j.sbi.2003.10.003","volume":"13","author":"Xiao B.","year":"2003","journal-title":"Curr. Opin. Struct. Biol."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"1025","DOI":"10.1038\/nsmb1338","volume":"14","author":"Taverna S. D.","year":"2007","journal-title":"Nat. Struct. Mol. Biol."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"1110","DOI":"10.1038\/nsmb1107-1110","volume":"14","author":"Lall S.","year":"2007","journal-title":"Nat. Struct. Mol. Biol."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"110","DOI":"10.1038\/nsmb0205-110","volume":"12","author":"Turner B. M.","year":"2005","journal-title":"Nat. Struct. Mol. Biol."},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"117","DOI":"10.1016\/S0092-8674(02)00999-6","volume":"111","author":"Zhang X.","year":"2002","journal-title":"Cell"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1016\/S1097-2765(03)00224-7","volume":"12","author":"Zhang X.","year":"2003","journal-title":"Mol. Cell"},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"1455","DOI":"10.1101\/gad.1318405","volume":"19","author":"Couture J. F.","year":"2005","journal-title":"Genes Dev."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"1444","DOI":"10.1101\/gad.1315905","volume":"19","author":"Xiao B.","year":"2005","journal-title":"Genes Dev."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"652","DOI":"10.1038\/nature01378","volume":"421","author":"Xiao B.","year":"2003","journal-title":"Nature"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"20659","DOI":"10.1073\/pnas.0806712105","volume":"105","author":"Couture J. F.","year":"2008","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"5563","DOI":"10.1074\/jbc.M410483200","volume":"280","author":"Collins R. E.","year":"2005","journal-title":"J. Biol. Chem."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"25309","DOI":"10.1074\/jbc.M101914200","volume":"276","author":"Tachibana M.","year":"2001","journal-title":"J. Biol. Chem."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"e8570","DOI":"10.1371\/journal.pone.0008570","volume":"5","author":"Wu H.","journal-title":"PLoS One"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"4438","DOI":"10.1093\/nar\/gkr019","volume":"39","author":"Xu S. T.","year":"2011","journal-title":"Nucleic Acids Res."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"31849","DOI":"10.1074\/jbc.M110.114587","volume":"285","author":"Del Rizzo P. A.","year":"2010","journal-title":"J. Biol. Chem."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"140","DOI":"10.1038\/nsmb1045","volume":"13","author":"Couture J. F.","year":"2006","journal-title":"Nat. Struct. Mol. Biol."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"12596","DOI":"10.1002\/chem.200902297","volume":"15","author":"Xu Q.","year":"2009","journal-title":"Chemistry"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"1380","DOI":"10.1021\/ct9006458","volume":"6","author":"Chu Y. Z.","year":"2010","journal-title":"J. Chem. Theory Comput."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"8797","DOI":"10.1073\/pnas.0702981104","volume":"104","author":"Guo H. B.","year":"2007","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"6671","DOI":"10.1021\/bi800244s","volume":"47","author":"Zhang X. D.","year":"2008","journal-title":"Biochemistry"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"e19856","DOI":"10.1371\/journal.pone.0019856","volume":"6","author":"Bai Q. F.","year":"2011","journal-title":"PLoS One"},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"3806","DOI":"10.1021\/ja075896n","volume":"130","author":"Hu P.","year":"2008","journal-title":"J. Am. Chem. Soc."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"3758","DOI":"10.1021\/jp067147i","volume":"111","author":"Wang S. L.","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"1272","DOI":"10.1021\/ja056153+","volume":"128","author":"Hu P.","year":"2006","journal-title":"J. Am. Chem. Soc."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"5728","DOI":"10.1073\/pnas.0801788105","volume":"105","author":"Zhang X.","year":"2008","journal-title":"Proc. Natl. Acad. Sc.i U. S. A."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"1707","DOI":"10.1002\/jcc.21458","volume":"31","author":"Georgieva P.","year":"2010","journal-title":"J. Comput. Chem."},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"700","DOI":"10.1002\/jcc.540110605","volume":"11","author":"Field M. J.","year":"1990","journal-title":"J. Comput. Chem."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"187","DOI":"10.1002\/jcc.540040211","volume":"4","author":"Brooks B. R.","year":"1983","journal-title":"J. Comput. Chem."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"843","DOI":"10.1002\/bip.360240509","volume":"24","author":"Brooks C. L.","year":"1985","journal-title":"Biopolymers"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"569","DOI":"10.1021\/jp0029109","volume":"105","author":"Cui Q.","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"3586","DOI":"10.1021\/jp973084f","volume":"102","author":"MacKerell A. D.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"Jorgensen W. L.","year":"1983","journal-title":"J. Chem. Phys."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"1902","DOI":"10.1063\/1.472061","volume":"105","author":"Neria E.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"578","DOI":"10.1016\/0009-2614(74)80109-0","volume":"28","author":"Torrie G. M.","year":"1974","journal-title":"Chem. Phys. Lett."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"1011","DOI":"10.1002\/jcc.540130812","volume":"13","author":"Kumar S.","year":"1992","journal-title":"J. Comput. Chem."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"18658","DOI":"10.1074\/jbc.M111.232876","volume":"286","author":"Horowitz S.","year":"2011","journal-title":"J. Biol. Chem."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"19280","DOI":"10.1074\/jbc.M602257200","volume":"281","author":"Couture J. F.","year":"2006","journal-title":"J. Biol. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"7104","DOI":"10.1021\/j100080a002","volume":"98","author":"Guo H.","year":"1994","journal-title":"J. Phys. Chem."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"18065","DOI":"10.1021\/jp0480192","volume":"108","author":"Guo H. B.","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1007\/s12539-008-0011-8","volume":"1","author":"Guo H. B.","year":"2009","journal-title":"Interdiscip. Sci."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci200364m","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2024,4,17]],"date-time":"2024-04-17T18:59:58Z","timestamp":1713380398000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci200364m"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,2,16]]},"references-count":44,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2012,2,27]]}},"alternative-id":["10.1021\/ci200364m"],"URL":"https:\/\/doi.org\/10.1021\/ci200364m","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2012,2,16]]}}}