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J."},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"719","DOI":"10.1016\/S0006-3495(00)76630-6","volume":"78","author":"Garc\u00eda de la Torre J.","year":"2000","journal-title":"Biophys. J."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"955","DOI":"10.1021\/jp0647941","volume":"111","author":"Garc\u00eda de la Torre J.","year":"2007","journal-title":"J. Phys. Chem. B"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"197","DOI":"10.1016\/S0301-4622(01)00221-6","volume":"93","author":"Allison S. A.","year":"2001","journal-title":"Biophys. Chem."},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"1416","DOI":"10.1021\/ct600062y","volume":"2","author":"Hahn D. K.","year":"2006","journal-title":"J. Chem. Theory Comput."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"2575","DOI":"10.1021\/ma061069f","volume":"40","author":"Mansfield M. 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Rheol."},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1021\/ma035941l","volume":"38","author":"Sunthar P.","year":"2005","journal-title":"Macromolecules"},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"477","DOI":"10.1007\/s00249-003-0292-0","volume":"32","author":"Garc\u00eda de la Torre J.","year":"2003","journal-title":"Eur. Biophys. J"},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"121","DOI":"10.1016\/j.bpc.2005.03.005","volume":"116","author":"Garc\u00eda de la Torre J.","year":"2005","journal-title":"Biophys. Chem"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"592","DOI":"10.1021\/ma60075a022","volume":"13","author":"Zimm B. H.","year":"1980","journal-title":"Macromolecules"},{"key":"ref21\/cit21","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1021\/ma00229a030","volume":"15","author":"Garc\u00eda de la Torre J.","year":"1982","journal-title":"Macromolecules"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"1481","DOI":"10.1002\/bip.1981.360200709","volume":"20","author":"Hagerman P.","year":"1981","journal-title":"Biopolymers"},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"960","DOI":"10.1021\/ma60076a037","volume":"13","author":"Harvey S. H.","year":"1980","journal-title":"Macromolecules"},{"key":"ref24\/cit24","volume-title":"Computer Simulation of Liquids","author":"Allen M. P.","year":"1987"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"6021","DOI":"10.1063\/1.453526","volume":"87","author":"D\u00edaz F. G.","year":"1987","journal-title":"J. Chem. Phys."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"7698","DOI":"10.1063\/1.454283","volume":"88","author":"D\u00edaz F. G.","year":"1988","journal-title":"J. Chem. Phys."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"259","DOI":"10.1016\/0032-3861(89)90115-8","volume":"30","author":"D\u00edaz F. G.","year":"1989","journal-title":"Polymer"},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"2035","DOI":"10.1063\/1.456046","volume":"90","author":"Rey A.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"2015","DOI":"10.1063\/1.458034","volume":"92","author":"Iniesta A.","year":"1990","journal-title":"J. Chem. Phys."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"167","DOI":"10.1002\/bip.360230113","volume":"23","author":"Allison S. A.","year":"1984","journal-title":"Biopolymers"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"363","DOI":"10.1002\/bip.360230214","volume":"23","author":"Allison S. A.","year":"1984","journal-title":"Biopolymers"},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"1195","DOI":"10.1021\/ma00158a042","volume":"19","author":"Fixman M.","year":"1986","journal-title":"Macromolecules"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"1204","DOI":"10.1021\/ma00158a043","volume":"19","author":"Fixman M.","year":"1986","journal-title":"Macromolecules"},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"474","DOI":"10.1063\/1.456690","volume":"90","author":"Zylka W.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"ref35\/cit35","volume-title":"Modern Theory of Polymer Solutions","author":"Yamakawa H.","year":"1971"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"1121","DOI":"10.1021\/ma00241a014","volume":"16","author":"Garc\u00eda de la Torre J.","year":"1983","journal-title":"Macromolecules"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"339","DOI":"10.1122\/1.550987","volume":"43","author":"Hern\u00e1ndez Cifre J. G.","year":"1999","journal-title":"J. Rheol."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"4628","DOI":"10.1063\/1.436415","volume":"69","author":"Rossky P. J.","year":"1978","journal-title":"J. Chem. Phys."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"267","DOI":"10.1122\/1.550991","volume":"43","author":"Larson R. G.","year":"1999","journal-title":"J. Rheol."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"713","DOI":"10.1122\/1.551115","volume":"44","author":"Hur J. S.","year":"2000","journal-title":"J. Rheol."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"2016","DOI":"10.1126\/science.276.5321.2016","volume":"276","author":"Perkins T. T.","year":"1997","journal-title":"Science"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"57","DOI":"10.1016\/0010-4655(95)00043-F","volume":"91","author":"Madura J. D.","year":"1995","journal-title":"Comput. Phys. Commun."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"780","DOI":"10.1016\/S0006-3495(98)74003-2","volume":"74","author":"Klenin K.","year":"1998","journal-title":"Biophys. J."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"8548","DOI":"10.1021\/ja901275d","volume":"131","author":"Del R\u00edo Echenique G.","year":"2009","journal-title":"J. Am. Chem. Soc."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"642","DOI":"10.1063\/1.1700507","volume":"20","author":"Fraenkel G. K.","year":"1952","journal-title":"J. Chem. Phys."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"1352","DOI":"10.1063\/1.436761","volume":"69","author":"Ermak D. L.","year":"1978","journal-title":"J. Chem. Phys."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"379","DOI":"10.1021\/i160043a017","volume":"11","author":"Warner H. R.","year":"1972","journal-title":"Ind. Eng. Chem. Fundam."},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1002\/polb.20994","volume":"45","author":"Pamies R.","year":"2007","journal-title":"J. Polym. Sci. Pol. Phys."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"9900","DOI":"10.1021\/jp9601835","volume":"100","author":"Carrasco B.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"689","DOI":"10.1002\/(SICI)1099-0488(199703)35:4<689::AID-POLB15>3.0.CO;2-C","volume":"35","author":"Navarro S.","year":"1997","journal-title":"J. Polym. Sci. Pol. Phys."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1016\/S0005-2736(02)00501-1","volume":"1565","author":"Fernandes M. X.","year":"2002","journal-title":"BBA-Biomembranes"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"769","DOI":"10.1021\/ma00028a041","volume":"25","author":"Chirico G.","year":"1992","journal-title":"Macromolecules"},{"key":"ref53\/cit53","doi-asserted-by":"crossref","DOI":"10.1007\/978-3-642-58290-5","volume-title":"Stochastic Processes in Polymer Fluids","author":"\u00d6ttinger H. C.","year":"1996"},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"168","DOI":"10.1006\/jcph.1997.5765","volume":"136","author":"Jian H. M.","year":"1997","journal-title":"J. Comput. Phys."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"21","DOI":"10.1146\/annurev.bioeng.6.062403.132016","volume":"7","author":"Benham C. J.","year":"2005","journal-title":"Annu. Rev. Biomed. Eng."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"4831","DOI":"10.1063\/1.1670977","volume":"50","author":"Rotne J.","year":"1969","journal-title":"J. Chem. Phys."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"436","DOI":"10.1063\/1.1673799","volume":"53","author":"Yamakawa H.","year":"1970","journal-title":"J. Chem. Phys."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"1747","DOI":"10.1002\/bip.1977.360160811","volume":"16","author":"Garc\u00eda de la Torre J.","year":"1977","journal-title":"Biopolymers"},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"510","DOI":"10.1007\/s002490050233","volume":"28","author":"Carrasco B.","year":"1999","journal-title":"Eur. Biophys. J."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"4767","DOI":"10.1063\/1.1288803","volume":"113","author":"Kr\u00f6ger M.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"2894","DOI":"10.1063\/1.1305884","volume":"113","author":"Jendrejack R. M.","year":"2000","journal-title":"J. Chem. Phys."},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"38","DOI":"10.1109\/5992.881706","volume":"2","author":"Schlick T.","year":"2000","journal-title":"Comput. Sci. Eng."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"3142","DOI":"10.1016\/S0006-3495(97)78340-1","volume":"73","author":"Huertas M. L.","year":"1997","journal-title":"Biophys. J."},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"1371","DOI":"10.1021\/ma0482617","volume":"38","author":"Pamies R.","year":"2005","journal-title":"Macromolecules"},{"key":"ref65\/cit65","volume-title":"Rheology. Principles, measurements and applications","author":"Macosko C. W.","year":"1994"},{"key":"ref66\/cit66","volume-title":"The Structure and Rheology of Complex Fluids","author":"Larson R. G.","year":"1999"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"269","DOI":"10.1016\/S0006-3495(88)82956-4","volume":"54","author":"Iniesta A.","year":"1988","journal-title":"Biophys. J."},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"1999","DOI":"10.1126\/science.276.5321.1999","volume":"276","author":"De Gennes P. G.","year":"1997","journal-title":"Science"},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"717","DOI":"10.1016\/S0022-3093(98)00518-3","volume":"235","author":"Hern\u00e1ndez Cifre J. G.","year":"1998","journal-title":"J. Non-Cryst. Solids"},{"key":"ref70\/cit70","doi-asserted-by":"crossref","first-page":"3948","DOI":"10.1021\/ma00219a014","volume":"23","author":"Rey A.","year":"1990","journal-title":"Macromolecules"},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"3843","DOI":"10.1063\/1.455790","volume":"90","author":"Allison S. A.","year":"1989","journal-title":"J. Chem. Phys."},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"53","DOI":"10.1103\/PhysRev.119.53","volume":"119","author":"Favro L. D.","year":"1960","journal-title":"Phys. Rev."},{"key":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"4","DOI":"10.1016\/j.colsurfb.2006.10.007","volume":"56","author":"Garc\u00eda de la Torre J.","year":"2007","journal-title":"Colloids Surf. B"},{"key":"ref74\/cit74","volume-title":"Dynamic Light Scattering","author":"Berne B.","year":"1976"},{"key":"ref75\/cit75","volume-title":"Soft Matter Characterization","author":"Chu S.","year":"2008"},{"key":"ref76\/cit76","doi-asserted-by":"crossref","first-page":"2490","DOI":"10.1063\/1.455043","volume":"89","author":"Lewis R. J.","year":"1988","journal-title":"J. Chem. Phys."},{"key":"ref77\/cit77","doi-asserted-by":"crossref","first-page":"759","DOI":"10.1021\/ma00028a040","volume":"25","author":"Allison S. A.","year":"1992","journal-title":"Macromolecules"},{"key":"ref78\/cit78","doi-asserted-by":"crossref","first-page":"2772","DOI":"10.1063\/1.432601","volume":"64","author":"Provencher S.","year":"1976","journal-title":"J. Chem. Phys."},{"key":"ref79\/cit79","doi-asserted-by":"crossref","first-page":"151","DOI":"10.1016\/S0006-3495(76)85660-3","volume":"16","author":"Provencher S.","year":"1976","journal-title":"Biophys. J."},{"key":"ref80\/cit80","doi-asserted-by":"crossref","first-page":"2028","DOI":"10.1021\/j100559a016","volume":"80","author":"Garc\u00eda de la Torre J.","year":"1976","journal-title":"J. Phys. Chem."},{"key":"ref81\/cit81","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1295\/polymj.9.33","volume":"9","author":"Garc\u00eda de la Torre J.","year":"1977","journal-title":"Polym. J."},{"key":"ref82\/cit82","doi-asserted-by":"crossref","first-page":"579","DOI":"10.1063\/1.1329137","volume":"114","author":"Drukker K.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"ref83\/cit83","doi-asserted-by":"crossref","first-page":"124906","DOI":"10.1063\/1.1869417","volume":"122","author":"Tepper H.","year":"2005","journal-title":"J. Chem. Phys."},{"key":"ref84\/cit84","doi-asserted-by":"crossref","first-page":"1777","DOI":"10.1016\/S0006-3495(94)80972-5","volume":"66","author":"Malhorta A.","year":"1994","journal-title":"Biophys. J."},{"key":"ref85\/cit85","doi-asserted-by":"crossref","first-page":"530","DOI":"10.1002\/bip.21168","volume":"91","author":"Devkota B.","year":"2009","journal-title":"Biopolymers"},{"key":"ref86\/cit86","doi-asserted-by":"crossref","first-page":"1573","DOI":"10.1016\/S0006-3495(94)80949-X","volume":"66","author":"Garc\u00eda de la Torre J.","year":"1994","journal-title":"Biophys. J."},{"key":"ref87\/cit87","doi-asserted-by":"crossref","first-page":"2324","DOI":"10.1063\/1.459904","volume":"94","author":"Eimer W.","year":"1991","journal-title":"J. Chem. Phys."},{"key":"ref88\/cit88","doi-asserted-by":"crossref","first-page":"144","DOI":"10.1016\/j.sbi.2005.02.005","volume":"15","author":"Tozzini V.","year":"2005","journal-title":"Curr. Opin. Struct. Biol."},{"key":"ref89\/cit89","doi-asserted-by":"crossref","first-page":"242","DOI":"10.1021\/ct800499p","volume":"5","author":"Frembgen-Kesner T.","year":"2009","journal-title":"J. Chem. Theory Comput."},{"key":"ref90\/cit90","doi-asserted-by":"crossref","first-page":"217","DOI":"10.1002\/bip.1974.360130115","volume":"13","author":"Schellman J. A.","year":"1974","journal-title":"Biopolymers"},{"key":"ref91\/cit91","doi-asserted-by":"crossref","first-page":"118","DOI":"10.1021\/ma00155a019","volume":"19","author":"Allison S. A.","year":"1986","journal-title":"Macromolecules"},{"key":"ref92\/cit92","doi-asserted-by":"crossref","first-page":"2047","DOI":"10.1063\/1.447827","volume":"81","author":"Tirado M. M.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref93\/cit93","doi-asserted-by":"crossref","first-page":"409","DOI":"10.1016\/S0006-3495(03)74485-3","volume":"85","author":"Lu Y.","year":"2003","journal-title":"Biophys. J."},{"key":"ref94\/cit94","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1007\/BF00188655","volume":"23","author":"Garc\u00eda de la Torre J.","year":"1994","journal-title":"Eur. Biophys. J."},{"key":"ref95\/cit95","doi-asserted-by":"crossref","first-page":"1110","DOI":"10.1021\/ma00206a033","volume":"23","author":"Allison S. A.","year":"1990","journal-title":"Macromolecules"},{"key":"ref96\/cit96","doi-asserted-by":"crossref","first-page":"5030","DOI":"10.1063\/1.1681018","volume":"60","author":"De Gennes P. G.","year":"1974","journal-title":"J. Chem. Phys."},{"key":"ref97\/cit97","doi-asserted-by":"crossref","first-page":"1335","DOI":"10.1126\/science.281.5381.1335","volume":"281","author":"Smith D. E.","year":"1998","journal-title":"Science"},{"key":"ref98\/cit98","doi-asserted-by":"crossref","first-page":"1724","DOI":"10.1126\/science.283.5408.1724","volume":"283","author":"Smith D. E.","year":"1999","journal-title":"Science"},{"key":"ref99\/cit99","doi-asserted-by":"crossref","first-page":"9242","DOI":"10.1021\/ma049461l","volume":"37","author":"Schroeder C. M.","year":"2004","journal-title":"Macromolecules"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ct900269n","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,3,14]],"date-time":"2023-03-14T16:11:51Z","timestamp":1678810311000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ct900269n"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2009,8,24]]},"references-count":99,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2009,10,13]]}},"alternative-id":["10.1021\/ct900269n"],"URL":"https:\/\/doi.org\/10.1021\/ct900269n","relation":{},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2009,8,24]]}}}