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J."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"0000","DOI":"10.1021\/ja1081537","volume":"133","author":"Dupuis N. F.","year":"2011","journal-title":"J. Am. Chem. Soc."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"290","DOI":"10.1016\/0076-6879(86)30015-6","volume":"130","author":"Susi H.","year":"1986","journal-title":"Methods Enzymol."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"328","DOI":"10.1016\/0968-0004(92)90305-S","volume":"17","author":"Haris P. I.","year":"1992","journal-title":"Trends Biochem. Sci."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"389","DOI":"10.1021\/bi00053a001","volume":"32","author":"Surewicz W. K.","year":"1993","journal-title":"Biochemistry"},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"6123","DOI":"10.1021\/jp9813286","volume":"102","author":"Hamm P.","year":"1998","journal-title":"J. Phys. Chem. B"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"516","DOI":"10.1016\/S0959-440X(00)00243-8","volume":"11","author":"Zanni M. T.","year":"2001","journal-title":"Curr. Opin. Struct. Biol."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"14190","DOI":"10.1073\/pnas.0704079104","volume":"104","author":"Hochstrasser R. M.","year":"2007","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"704","DOI":"10.1002\/lapl.200710046","volume":"4","author":"Park S.","year":"2007","journal-title":"Laser Phys. Lett."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"1331","DOI":"10.1021\/cr078377b","volume":"108","author":"Cho M.","year":"2008","journal-title":"Chem. Rev."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"432","DOI":"10.1021\/ar700188n","volume":"41","author":"Ganim Z.","year":"2008","journal-title":"Acc. Chem. 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Biol."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"396","DOI":"10.1002\/1097-0282(200111)59:6<396::AID-BIP1044>3.0.CO;2-Y","volume":"59","author":"Torres J.","year":"2001","journal-title":"Biopolymers"},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"586","DOI":"10.1016\/j.cplett.2003.10.111","volume":"382","author":"Fang C.","year":"2003","journal-title":"Chem. Phys. Lett."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"10415","DOI":"10.1021\/jp049893y","volume":"108","author":"Fang C.","year":"2004","journal-title":"J. Phys. Chem. B"},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"10215","DOI":"10.1063\/1.1718332","volume":"120","author":"Mukherjee P.","year":"2004","journal-title":"J. Chem. Phys."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"18652","DOI":"10.1021\/jp052525p","volume":"109","author":"Fang C.","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"394","DOI":"10.1016\/j.cbpa.2006.08.013","volume":"10","author":"Arkin I. T.","year":"2006","journal-title":"Curr. Opin. Chem. Biol."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"169","DOI":"10.1021\/ar050135f","volume":"39","author":"Decatur S. M.","year":"2006","journal-title":"Acc. Chem. Res."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"3528","DOI":"10.1073\/pnas.0508833103","volume":"103","author":"Mukherjee P.","year":"2006","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"24740","DOI":"10.1021\/jp0640530","volume":"110","author":"Mukherjee P.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"3713","DOI":"10.1021\/jp200745r","volume":"115","author":"Wang L.","year":"2011","journal-title":"J. Phys. Chem. B"},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"9662","DOI":"10.1073\/pnas.86.24.9662","volume":"86","author":"Roberts A. N.","year":"1989","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref67\/cit67","volume-title":"Biomolecular Simulation: The GROMOS96 manual and user guide","author":"van Gunsteren W. F.","year":"1996"},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"3596","DOI":"10.1021\/jp984217f","volume":"103","author":"Scott W. R. P.","year":"1999","journal-title":"J. Phys. Chem. A"},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"1656","DOI":"10.1002\/jcc.20090","volume":"25","author":"Oostenbrink C.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref70\/cit70","volume-title":"In: Intermolecular Forces","author":"Berendsen H. J. C.","year":"1981"},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"210","DOI":"10.1002\/prot.20872","volume":"63","author":"Zagrovic B.","year":"2006","journal-title":"Proteins"},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"857","DOI":"10.1002\/jcc.20378","volume":"27","author":"Zhou Y.","year":"2006","journal-title":"J. Comput. Chem."},{"key":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"443","DOI":"10.1016\/j.bpj.2009.10.029","volume":"98","author":"Reddy A. S.","year":"2010","journal-title":"Biophys. J."},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"2208","DOI":"10.1016\/j.bpj.2010.07.014","volume":"99","author":"Reddy A. S.","year":"2010","journal-title":"Biophys. J."},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"1038","DOI":"10.1016\/j.bpj.2009.10.057","volume":"98","author":"Reddy A. S.","year":"2010","journal-title":"Biophys. J."},{"key":"ref76\/cit76","doi-asserted-by":"crossref","first-page":"26","DOI":"10.1016\/j.bbamem.2010.09.024","volume":"1808","author":"Izmitli A.","year":"2011","journal-title":"Biochim. Biophys. Acta"},{"key":"ref77\/cit77","volume-title":"Physics Computing 92","author":"Bekker H.","year":"1993"},{"key":"ref78\/cit78","doi-asserted-by":"crossref","first-page":"43","DOI":"10.1016\/0010-4655(95)00042-E","volume":"91","author":"Berendsen H. J. C.","year":"1995","journal-title":"Comput. Phys. Commun."},{"key":"ref79\/cit79","doi-asserted-by":"crossref","first-page":"1701","DOI":"10.1002\/jcc.20291","volume":"26","author":"van der Spoel D.","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref80\/cit80","doi-asserted-by":"crossref","first-page":"435","DOI":"10.1021\/ct700301q","volume":"4","author":"Hess B.","year":"2008","journal-title":"J. Chem. Theory Comput."},{"key":"ref81\/cit81","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","volume":"98","author":"Darden T.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref82\/cit82","doi-asserted-by":"crossref","first-page":"8577","DOI":"10.1063\/1.470117","volume":"103","author":"Essmann U.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ref83\/cit83","doi-asserted-by":"crossref","first-page":"511","DOI":"10.1063\/1.447334","volume":"81","author":"Nos\u00e9 S.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref84\/cit84","doi-asserted-by":"crossref","first-page":"1695","DOI":"10.1103\/PhysRevA.31.1695","volume":"31","author":"Hoover W. G.","year":"1985","journal-title":"Phys. Rev. A"},{"key":"ref85\/cit85","doi-asserted-by":"crossref","first-page":"7182","DOI":"10.1063\/1.328693","volume":"52","author":"Parrinello M.","year":"1981","journal-title":"J. Appl. Phys."},{"key":"ref86\/cit86","volume-title":"Computational methods in optimization: A unified approach","author":"Polak E.","year":"1971"},{"key":"ref87\/cit87","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1006\/jsbi.1997.3858","volume":"119","author":"Goldsbury C. S.","year":"1997","journal-title":"J. Struct. Biol."},{"key":"ref88\/cit88","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1016\/j.jmb.2005.02.029","volume":"348","author":"Kajava A. V.","year":"2005","journal-title":"J. Mol. Biol."},{"key":"ref89\/cit89","doi-asserted-by":"crossref","first-page":"210","DOI":"10.1021\/bm101159p","volume":"12","author":"Zhao J.","year":"2011","journal-title":"Biomacromolecules"},{"key":"ref90\/cit90","doi-asserted-by":"crossref","first-page":"4018","DOI":"10.1021\/ja109679q","volume":"133","author":"Qiang W.","year":"2011","journal-title":"J. Am. Chem. Soc."},{"key":"ref91\/cit91","doi-asserted-by":"crossref","first-page":"2742","DOI":"10.1021\/ja1100273","volume":"133","author":"Miller Y.","year":"2011","journal-title":"J. Am. Chem. Soc."},{"key":"ref92\/cit92","doi-asserted-by":"crossref","first-page":"498","DOI":"10.1021\/bi051952q","volume":"45","author":"Petkova A. T.","year":"2006","journal-title":"Biochemistry"},{"key":"ref93\/cit93","doi-asserted-by":"crossref","first-page":"18349","DOI":"10.1073\/pnas.0806270105","volume":"105","author":"Paravastu A. K.","year":"2008","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref94\/cit94","doi-asserted-by":"crossref","first-page":"279","DOI":"10.1146\/annurev-physchem-032210-103539","volume":"62","author":"Tycko R.","year":"2011","journal-title":"Annu. Rev. Phys. Chem."},{"key":"ref95\/cit95","doi-asserted-by":"crossref","first-page":"14339","DOI":"10.1073\/pnas.0907821106","volume":"106","author":"Chen B.","year":"2009","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref96\/cit96","doi-asserted-by":"crossref","first-page":"e1000693","DOI":"10.1371\/journal.pcbi.1000693","volume":"6","author":"Wu C.","year":"2010","journal-title":"PLoS Comput. Biol."},{"key":"ref97\/cit97","doi-asserted-by":"crossref","first-page":"044312","DOI":"10.1063\/1.2218516","volume":"125","author":"Jansen T. L. C.","year":"2006","journal-title":"J. Chem. Phys."},{"key":"ref98\/cit98","doi-asserted-by":"crossref","first-page":"81","DOI":"10.1002\/(SICI)1097-4555(199801)29:1<81::AID-JRS214>3.0.CO;2-H","volume":"29","author":"Torii H.","year":"1998","journal-title":"J. Raman Spectrosc."},{"key":"ref99\/cit99","volume-title":"Principles of Nonlinear Optical Spectroscopy","author":"Mukamel S.","year":"1995"},{"key":"ref100\/cit100","doi-asserted-by":"crossref","first-page":"143","DOI":"10.1016\/j.chemphys.2007.06.043","volume":"341","author":"Schmidt J. R.","year":"2007","journal-title":"Chem. Phys."},{"key":"ref101\/cit101","doi-asserted-by":"crossref","first-page":"592","DOI":"10.1021\/jp807528q","volume":"113","author":"Lin Y.-S.","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"ref102\/cit102","doi-asserted-by":"crossref","first-page":"11016","DOI":"10.1021\/jp050257p","volume":"109","author":"DeCamp M. F.","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"ref103\/cit103","doi-asserted-by":"crossref","first-page":"5258","DOI":"10.1021\/jp0219247","volume":"107","author":"Khalil M.","year":"2003","journal-title":"J. Phys. Chem. A"},{"key":"ref104\/cit104","doi-asserted-by":"crossref","first-page":"306","DOI":"10.1007\/s008940100045","volume":"7","author":"Lindahl E.","year":"2001","journal-title":"J. Mol. Model."},{"key":"ref105\/cit105","unstructured":"van der Spoel, D.; Lindahl, E.; Hess, B.; van Buuren, A. R.; Apol, E.; Meulenhoff, P. J.; Tieleman, D. P.; Sijbers, A. L. T. M.; Feenstra, K. A.; van Drunen, R.; Berendsen, H. J. C.Gromacs User Manual version 3.3;www.gromacs.org, 2005."},{"key":"ref106\/cit106","doi-asserted-by":"crossref","first-page":"9347","DOI":"10.1039\/b925645h","volume":"12","author":"Roy S.","year":"2010","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref107\/cit107","doi-asserted-by":"crossref","first-page":"1206","DOI":"10.1126\/science.1202997","volume":"332","author":"Remorino A.","year":"2011","journal-title":"Science"},{"key":"ref108\/cit108","doi-asserted-by":"crossref","first-page":"693","DOI":"10.1021\/ol047480+","volume":"7","author":"Abedini A.","year":"2005","journal-title":"Org. Lett."},{"key":"ref109\/cit109","doi-asserted-by":"crossref","first-page":"4848","DOI":"10.1021\/ol101981b","volume":"12","author":"Marek P.","year":"2010","journal-title":"Org. Lett."},{"key":"ref110\/cit110","doi-asserted-by":"crossref","first-page":"4935","DOI":"10.1021\/ol701913p","volume":"9","author":"Marecek J.","year":"2007","journal-title":"Org. Lett."},{"key":"ref111\/cit111","doi-asserted-by":"crossref","first-page":"12","DOI":"10.1016\/j.ymeth.2010.05.002","volume":"52","author":"Middleton C. T.","year":"2010","journal-title":"Methods"},{"key":"ref112\/cit112","doi-asserted-by":"crossref","first-page":"838","DOI":"10.1364\/OL.31.000838","volume":"31","author":"Shim S.-H.","year":"2006","journal-title":"Opt. Lett."},{"key":"ref113\/cit113","doi-asserted-by":"crossref","first-page":"1451","DOI":"10.1063\/1.1581855","volume":"119","author":"Ham S.","year":"2003","journal-title":"J. Chem. Phys."},{"key":"ref114\/cit114","doi-asserted-by":"crossref","first-page":"559","DOI":"10.1016\/S0009-2614(03)01317-4","volume":"378","author":"Schmidt J. R.","year":"2003","journal-title":"Chem. Phys. Lett."},{"key":"ref115\/cit115","doi-asserted-by":"crossref","first-page":"17751","DOI":"10.1073\/pnas.0909888106","volume":"106","author":"Kim Y. S.","year":"2009","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref116\/cit116","doi-asserted-by":"crossref","first-page":"15436","DOI":"10.1021\/bi0204185","volume":"41","author":"Antzutkin O. N.","year":"2002","journal-title":"Biochemistry"},{"key":"ref117\/cit117","doi-asserted-by":"crossref","first-page":"179","DOI":"10.1016\/S0925-4439(01)00078-3","volume":"1537","author":"Jaikaran E. T. A. S.","year":"2001","journal-title":"Biochim. Biophys. Acta"},{"key":"ref118\/cit118","doi-asserted-by":"crossref","first-page":"274","DOI":"10.1016\/j.jmb.2005.10.052","volume":"355","author":"Abedini A.","year":"2006","journal-title":"J. Mol. Biol."},{"key":"ref119\/cit119","doi-asserted-by":"crossref","first-page":"7783","DOI":"10.1021\/bi100337p","volume":"49","author":"Fox A.","year":"2010","journal-title":"Biochemistry"},{"key":"ref120\/cit120","doi-asserted-by":"crossref","first-page":"8252","DOI":"10.1021\/ja9010095","volume":"131","author":"Nanga R. P. R.","year":"2009","journal-title":"J. Am. Chem. Soc."},{"key":"ref121\/cit121","doi-asserted-by":"crossref","first-page":"11982","DOI":"10.1074\/jbc.M809085200","volume":"284","author":"Patil S. M.","year":"2009","journal-title":"J. Biol. Chem."},{"key":"ref122\/cit122","doi-asserted-by":"crossref","first-page":"015005","DOI":"10.1088\/1478-3975\/6\/1\/015005","volume":"6","author":"Abedini A.","year":"2009","journal-title":"Phys. Biol."},{"key":"ref123\/cit123","doi-asserted-by":"crossref","first-page":"14454","DOI":"10.1021\/bi048582a","volume":"43","author":"Porat Y.","year":"2004","journal-title":"Biochemistry"},{"key":"ref124\/cit124","doi-asserted-by":"crossref","first-page":"2046","DOI":"10.1073\/pnas.0507471103","volume":"103","author":"Yan L.-M.","year":"2006","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref125\/cit125","doi-asserted-by":"crossref","first-page":"11300","DOI":"10.1021\/ja072157y","volume":"129","author":"Abedini A.","year":"2007","journal-title":"J. Am. Chem. Soc."},{"key":"ref126\/cit126","doi-asserted-by":"crossref","first-page":"872","DOI":"10.1021\/bi901751b","volume":"49","author":"Cao P.","year":"2010","journal-title":"Biochemistry"},{"key":"ref127\/cit127","doi-asserted-by":"crossref","first-page":"555","DOI":"10.1016\/j.jmb.2010.05.001","volume":"400","author":"Meng F.","year":"2010","journal-title":"J. Mol. Biol."},{"key":"ref128\/cit128","doi-asserted-by":"crossref","first-page":"1360","DOI":"10.1016\/j.bmcl.2010.01.004","volume":"20","author":"Muthusamy K.","year":"2010","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"ref129\/cit129","doi-asserted-by":"crossref","first-page":"1550","DOI":"10.1016\/j.bpj.2011.02.010","volume":"100","author":"Jiang P.","year":"2011","journal-title":"Biophys. J."}],"container-title":["Journal of the American Chemical Society"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ja204035k","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,23]],"date-time":"2023-04-23T15:21:06Z","timestamp":1682263266000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ja204035k"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2011,9,15]]},"references-count":129,"journal-issue":{"issue":"40","published-print":{"date-parts":[[2011,10,12]]}},"alternative-id":["10.1021\/ja204035k"],"URL":"https:\/\/doi.org\/10.1021\/ja204035k","relation":{},"ISSN":["0002-7863","1520-5126"],"issn-type":[{"value":"0002-7863","type":"print"},{"value":"1520-5126","type":"electronic"}],"subject":[],"published":{"date-parts":[[2011,9,15]]}}}