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J."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"533","DOI":"10.1007\/s002490050236","volume":"28","author":"Ullmann G. M.","year":"1999","journal-title":"Eur. Biophys. J."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"14691","DOI":"10.1021\/jp052259f","volume":"109","author":"Teixeira V. H.","year":"2005","journal-title":"J. Phys. Chem. B"},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"10072","DOI":"10.1021\/bi00452a029","volume":"28","author":"Antosiewicz J.","year":"1989","journal-title":"Biochemistry"},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"5804","DOI":"10.1073\/pnas.88.13.5804","volume":"88","author":"Beroza P.","year":"1991","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"293","DOI":"10.1021\/jp002763e","volume":"105","author":"Baptista A. M.","year":"2001","journal-title":"J. Phys. Chem. B"},{"key":"ref16\/cit16","first-page":"47","volume":"8","author":"Mertz J. E.","year":"1994","journal-title":"Int. J. High Perform. C"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"9706","DOI":"10.1063\/1.1370959","volume":"114","author":"B\u00f6rjesson U.","year":"2001","journal-title":"J. Chem. Phys."},{"key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"4184","DOI":"10.1063\/1.1497164","volume":"117","author":"Baptista A. M.","year":"2002","journal-title":"J. Chem. Phys."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"469","DOI":"10.1002\/prot.10046","volume":"47","author":"B\u00fcrgi R.","year":"2002","journal-title":"Proteins Struct. Funct. Bioinf."},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"161","DOI":"10.1016\/j.chemphys.2004.03.031","volume":"302","author":"Dlugosz M.","year":"2004","journal-title":"Chem. Phys."},{"key":"ref21\/cit21","doi-asserted-by":"crossref","DOI":"10.1103\/PhysRevE.69.021915","volume":"69","author":"Dlugosz M.","year":"2004","journal-title":"Phys. Rev. E"},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"738","DOI":"10.1002\/prot.20128","volume":"56","author":"Lee M.","year":"2004","journal-title":"Proteins Struct. Funct. Bioinf."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"2038","DOI":"10.1002\/jcc.20139","volume":"25","author":"Mongan J.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"2927","DOI":"10.1021\/jp056456q","volume":"110","author":"Machuqueiro M.","year":"2006","journal-title":"J. Phys. Chem. B"},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"1836","DOI":"10.1529\/biophysj.106.092445","volume":"92","author":"Machuqueiro M.","year":"2007","journal-title":"Biophys. J."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"164112","DOI":"10.1063\/1.2731781","volume":"126","author":"Stern H. A.","year":"2007","journal-title":"J. Chem. Phys."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"289","DOI":"10.1002\/prot.21923","volume":"72","author":"Machuqueiro M.","year":"2008","journal-title":"Proteins Struct. Funct. Bioinf."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"15989","DOI":"10.1021\/jp902991u","volume":"113","author":"Campos S. R. R.","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"12586","DOI":"10.1021\/ja808463e","volume":"131","author":"Machuqueiro M.","year":"2009","journal-title":"J. Am. Chem. Soc."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"12692","DOI":"10.1021\/jp104753t","volume":"114","author":"Campos S. R. R.","year":"2010","journal-title":"J. Phys. Chem. B"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"3420","DOI":"10.1002\/prot.23176","volume":"79","author":"Itoh S. G.","year":"2011","journal-title":"Proteins Struct. Funct. Bioinf."},{"key":"ref32\/cit32","first-page":"11659","volume":"114","author":"Machuqueiro M.","year":"2011","journal-title":"Proteins Struct. Funct. Bioinf."},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"832","DOI":"10.1002\/jcc.22909","volume":"33","author":"Vorobjev Y. N.","year":"2012","journal-title":"J. Comput. Chem."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"4393","DOI":"10.1021\/ct300512h","volume":"8","author":"Swails J. M.","year":"2012","journal-title":"J. Chem. Theory Comput."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"8812","DOI":"10.1021\/jp3034837","volume":"116","author":"Vila-Vi\u00e7osa D.","year":"2012","journal-title":"J. Phys. Chem. 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J."},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"7507","DOI":"10.1021\/jp401066v","volume":"117","author":"Vila-Vi\u00e7osa D.","year":"2013","journal-title":"J. Phys. Chem. B"},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"1319","DOI":"10.1002\/prot.24499","volume":"82","author":"Goh G. B.","year":"2014","journal-title":"Proteins Struct. Funct. Bioinf."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"2738","DOI":"10.1021\/ct500175m","volume":"10","author":"Lee J.","year":"2014","journal-title":"J. Chem. Theory Comput."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"1341","DOI":"10.1021\/ct401042b","volume":"10","author":"Swails J. M.","year":"2014","journal-title":"J. Chem. Theory Comput."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"1513","DOI":"10.3762\/bjoc.10.156","volume":"10","author":"Vila-Vi\u00e7osa D.","year":"2014","journal-title":"Beilstein J. Org. Chem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"141","DOI":"10.1529\/biophysj.105.061341","volume":"89","author":"Khandogin J.","year":"2005","journal-title":"Biophys. J."},{"key":"ref47\/cit47","doi-asserted-by":"crossref","first-page":"9363","DOI":"10.1021\/bi060706r","volume":"45","author":"Khandogin J.","year":"2006","journal-title":"Biochemistry"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"1962","DOI":"10.1021\/ct200061r","volume":"7","author":"Donnini S.","year":"2011","journal-title":"J. Chem. Theory Comput."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"2414","DOI":"10.1063\/1.472109","volume":"105","author":"Kong X.","year":"1996","journal-title":"J. Chem. Phys."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"194902","DOI":"10.1063\/1.4766313","volume":"137","author":"Morrow B.","year":"2012","journal-title":"J. Chem. Phys."},{"key":"ref51\/cit51","first-page":"343","volume":"65","author":"Torrie G. M.","year":"1979","journal-title":"Chem. Phys. Lipids"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"2179","DOI":"10.1021\/j100454a014","volume":"84","author":"J\u00f6nsson B.","year":"1980","journal-title":"J. Phys. Chem."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"531","DOI":"10.1111\/j.1432-1033.1983.tb07599.x","volume":"134","author":"Lakhdar-Ghazal F.","year":"1983","journal-title":"Eur. J. Biochem."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"2221","DOI":"10.1063\/1.446912","volume":"80","author":"Guldbrand L.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref55\/cit55","unstructured":"Andelman, D.InHandbook of biological physics;Lipowsky, R.; Sackmann, E.;Elsevier Science:Washington, DC, 1995; Vol.1, pp603\u2013642."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"2283","DOI":"10.1021\/ja953878c","volume":"118","author":"Smart J. L.","year":"1996","journal-title":"J. Am. Chem. Soc."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"1985","DOI":"10.1016\/j.bbamem.2011.03.001","volume":"1808","author":"Mengistu D. H.","year":"2011","journal-title":"Biochem. Biophys. Acta, Biomembr."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","unstructured":"Israelachvili, J. N.Intermolecular and Surface Forces: Revised,3rd ed.Academic Press:San Diego, 2011; pp291\u2013340.","DOI":"10.1016\/B978-0-12-391927-4.10014-3"},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"160","DOI":"10.1073\/pnas.80.1.160","volume":"80","author":"Haines T.","year":"1983","journal-title":"Proc. Natl. Acad. Sci. U.S.A."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"1881","DOI":"10.1021\/bi00406a013","volume":"27","author":"Cistola D. P.","year":"1988","journal-title":"Biochemistry"},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"11670","DOI":"10.1021\/la101012a","volume":"26","author":"Salentinig S.","year":"2010","journal-title":"Langmuir"},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"67","DOI":"10.1016\/j.chemphyslip.2009.03.005","volume":"159","author":"Peterlin P.","year":"2009","journal-title":"Chem. Phys. Lipids"},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"10661","DOI":"10.1021\/la501962n","volume":"30","author":"Janke J. J.","year":"2014","journal-title":"Langmuir"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"77S","DOI":"10.1002\/hep.1840040814","volume":"4","author":"Small D. M.","year":"1984","journal-title":"Hepatology"},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"201","DOI":"10.1006\/jcis.2001.8009","volume":"256","author":"Kanicky J. R.","year":"2002","journal-title":"J. Colloid Interface Sci."},{"key":"ref66\/cit66","unstructured":"Tanford, C.Physical Chemistry of Macromolecules;John Wiley & Sons, Inc.:New York, 1961; pp572\u2013573."},{"key":"ref67\/cit67","unstructured":"Wyman, J.Binding and Linkage: Functional Chemistry of Biological Macromolecules;University Science Books:Herndon, VA, 1990; p75."},{"key":"ref68\/cit68","unstructured":"Chandler, D.Introduction to Modern Statistical Mechanics;Oxford University Press:New York, 1987; p71."},{"key":"ref69\/cit69","doi-asserted-by":"crossref","unstructured":"Knott, G. D.Interpolating Cubic Splines;Birkh\u00e4user:Boston, 1999; p71.","DOI":"10.1007\/978-1-4612-1320-8"},{"key":"ref70\/cit70","doi-asserted-by":"crossref","first-page":"843","DOI":"10.1007\/s00249-011-0700-9","volume":"40","author":"Schmid N.","year":"2011","journal-title":"Eur. Biophys. J."},{"key":"ref71\/cit71","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":"ref72\/cit72","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":"ref73\/cit73","doi-asserted-by":"crossref","first-page":"325","DOI":"10.1021\/ct900487a","volume":"6","author":"Poger D.","year":"2010","journal-title":"J. Chem. Theory Comput."},{"key":"ref74\/cit74","doi-asserted-by":"crossref","first-page":"1513","DOI":"10.1002\/bip.360230807","volume":"23","author":"Hermans J.","year":"1984","journal-title":"Biopolymers"},{"key":"ref75\/cit75","doi-asserted-by":"crossref","first-page":"116","DOI":"10.1021\/ct700200b","volume":"4","author":"Hess B.","year":"2008","journal-title":"J. Chem. Theory Comput."},{"key":"ref76\/cit76","doi-asserted-by":"crossref","first-page":"952","DOI":"10.1002\/jcc.540130805","volume":"13","author":"Miyamoto S.","year":"1992","journal-title":"J. Comput. Chem."},{"key":"ref77\/cit77","doi-asserted-by":"crossref","first-page":"014101","DOI":"10.1063\/1.2408420","volume":"126","author":"Bussi G.","year":"2007","journal-title":"J. Chem. Phys."},{"key":"ref78\/cit78","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","volume":"81","author":"Berendsen H. J. C.","year":"1984","journal-title":"J. Chem. Phys."},{"key":"ref79\/cit79","doi-asserted-by":"crossref","first-page":"5451","DOI":"10.1063\/1.469273","volume":"102","author":"Tironi I. G.","year":"1995","journal-title":"J. Chem. Phys."},{"key":"ref80\/cit80","doi-asserted-by":"crossref","first-page":"3169","DOI":"10.1063\/1.466407","volume":"100","author":"Smith P. E.","year":"1994","journal-title":"J. Chem. Phys."},{"key":"ref81\/cit81","doi-asserted-by":"crossref","first-page":"128","DOI":"10.1002\/jcc.1161","volume":"23","author":"Rocchia W.","year":"2002","journal-title":"J. Comput. Chem."},{"key":"ref82\/cit82","doi-asserted-by":"crossref","first-page":"9","DOI":"10.1186\/2046-1682-5-9","volume":"5","author":"Li L.","year":"2012","journal-title":"BMC Biophys."},{"key":"ref83\/cit83","doi-asserted-by":"crossref","first-page":"327","DOI":"10.1002\/jcc.540090407","volume":"9","author":"Gilson M.","year":"1987","journal-title":"J. Comput. Chem."},{"key":"ref84\/cit84","doi-asserted-by":"crossref","first-page":"2492","DOI":"10.1039\/jr9590002492","author":"Dippy J. F. J.","year":"1959","journal-title":"J. Chem. Soc."},{"key":"ref85\/cit85","unstructured":"Neale, C.Note: GROMACS Bug # 1166: g_order is incorrect for unsaturated carbons.http:\/\/redmine.gromacs.org\/issues\/1166(accessed September 15, 2014)."},{"key":"ref86\/cit86","unstructured":"Allen, M. P.; Tildesley, D. J.Computer Simulation of Liquids;Oxford University Press:New York, 1987; pp191\u2013198."},{"key":"ref87\/cit87","doi-asserted-by":"crossref","first-page":"4839","DOI":"10.1021\/bi00720a024","volume":"13","author":"Seelig A.","year":"1974","journal-title":"Biochemistry"},{"key":"ref88\/cit88","doi-asserted-by":"crossref","first-page":"3310","DOI":"10.1021\/bi00609a021","volume":"17","author":"Seelig J.","year":"1978","journal-title":"Biochemistry"},{"key":"ref89\/cit89","doi-asserted-by":"crossref","first-page":"1055","DOI":"10.1021\/bi00325a038","volume":"24","author":"Perly B.","year":"1985","journal-title":"Biochemistry"},{"key":"ref90\/cit90","doi-asserted-by":"crossref","first-page":"721","DOI":"10.1002\/cphc.200700611","volume":"9","author":"Guo L.","year":"2008","journal-title":"ChemPhysChem"},{"key":"ref91\/cit91","doi-asserted-by":"crossref","first-page":"1377","DOI":"10.1016\/j.bbamem.2010.02.014","volume":"1798","author":"Mach\u00e1\u0148 R.","year":"2010","journal-title":"Biochem. 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