{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,3,13]],"date-time":"2026-03-13T12:49:25Z","timestamp":1773406165113,"version":"3.50.1"},"reference-count":72,"publisher":"American Chemical Society (ACS)","issue":"2","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Inf. Model."],"published-print":{"date-parts":[[2014,2,24]]},"DOI":"10.1021\/ci400463z","type":"journal-article","created":{"date-parts":[[2014,1,24]],"date-time":"2014-01-24T16:07:14Z","timestamp":1390579634000},"page":"573-581","source":"Crossref","is-referenced-by-count":38,"title":["Molecular Dynamics Simulations of the Adenosine A2a Receptor in POPC and POPE Lipid Bilayers: Effects of Membrane on Protein Behavior"],"prefix":"10.1021","volume":"54","author":[{"given":"Hui Wen","family":"Ng","sequence":"first","affiliation":[{"name":"School of Pharmacy, University of Nottingham Malaysia Campus, Jalan Broga, 43500 Semenyih, Selangor, Malaysia"}]},{"given":"Charles A.","family":"Laughton","sequence":"additional","affiliation":[{"name":"School of Pharmacy, University of Nottingham, Nottingham, NG7 2RD, United Kingdom"}]},{"given":"Stephen W.","family":"Doughty","sequence":"additional","affiliation":[{"name":"School of Pharmacy, University of Nottingham Malaysia Campus, Jalan Broga, 43500 Semenyih, Selangor, Malaysia"}]}],"member":"316","published-online":{"date-parts":[[2014,2,7]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"crossref","first-page":"1615","DOI":"10.1084\/jem.186.9.1615","volume":"186","author":"Montesinos M. C.","year":"1997","journal-title":"J. Exp. Med."},{"key":"ref2\/cit2","doi-asserted-by":"crossref","first-page":"311","DOI":"10.2165\/00023210-199810050-00001","volume":"10","author":"Mally J.","year":"1998","journal-title":"CNS Drugs"},{"key":"ref3\/cit3","doi-asserted-by":"crossref","first-page":"R811","DOI":"10.1016\/S0960-9822(01)00491-2","volume":"11","author":"Lee A.","year":"2001","journal-title":"Curr. Biol."},{"key":"ref4\/cit4","doi-asserted-by":"crossref","DOI":"10.1016\/S0167-7306(08)60230-6","volume-title":"Protein-Lipid Interactions","volume":"25","author":"Mouritsen O. G.","year":"1993"},{"key":"ref5\/cit5","doi-asserted-by":"crossref","first-page":"428","DOI":"10.1016\/S0006-3495(92)81848-9","volume":"61","author":"Wiener M. C.","year":"1992","journal-title":"Biophys. J."},{"key":"ref6\/cit6","doi-asserted-by":"crossref","first-page":"569","DOI":"10.1038\/42408","volume":"387","author":"Simons K.","year":"1997","journal-title":"Nature"},{"key":"ref7\/cit7","doi-asserted-by":"crossref","first-page":"545","DOI":"10.1093\/jn\/137.3.545","volume":"137","author":"Calder P. C.","year":"2007","journal-title":"J. Nutr."},{"key":"ref8\/cit8","doi-asserted-by":"crossref","first-page":"1159","DOI":"10.1038\/nature07596","volume":"457","author":"Eggeling C.","year":"2009","journal-title":"Nature"},{"key":"ref9\/cit9","doi-asserted-by":"crossref","first-page":"1046","DOI":"10.1126\/science.334.6059.1046-b","volume":"334","author":"Leslie M.","year":"2011","journal-title":"Science"},{"key":"ref10\/cit10","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1038\/nrm2330","volume":"9","author":"van Meer G.","year":"2008","journal-title":"Nat. Rev. Mol. Cell Biol."},{"key":"ref11\/cit11","doi-asserted-by":"crossref","first-page":"3884","DOI":"10.1529\/biophysj.107.107938","volume":"93","author":"Marsh D.","year":"2007","journal-title":"Biophys. J."},{"key":"ref12\/cit12","doi-asserted-by":"crossref","first-page":"63","DOI":"10.1146\/annurev.biophys.36.040306.132721","volume":"36","author":"Feigenson G. W.","year":"2007","journal-title":"Annu. Rev. Biophys. Biomol. Struct."},{"key":"ref13\/cit13","doi-asserted-by":"crossref","first-page":"1034","DOI":"10.1016\/S0006-3495(03)74542-1","volume":"85","author":"Silvius J. R.","year":"2003","journal-title":"Biophys. J."},{"key":"ref14\/cit14","doi-asserted-by":"crossref","first-page":"2762","DOI":"10.1016\/S0006-3495(01)75919-X","volume":"81","author":"Wang T. Y.","year":"2001","journal-title":"Biophys. J."},{"key":"ref15\/cit15","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1146\/annurev.cb.05.110189.001335","volume":"5","author":"van Meer G.","year":"1989","journal-title":"Annu. Rev. Cell. Biol."},{"key":"ref16\/cit16","doi-asserted-by":"crossref","first-page":"61","DOI":"10.1016\/S0005-2736(99)00022-X","volume":"1418","author":"Gallet P. F.","year":"1999","journal-title":"Biochim. Biophys. Acta"},{"key":"ref17\/cit17","doi-asserted-by":"crossref","first-page":"5358","DOI":"10.1021\/ja070949m","volume":"129","author":"Gurtovenko A. A.","year":"2007","journal-title":"J. Am. Chem. Soc."},{"issue":"1","key":"ref18\/cit18","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1042\/bj2940001","volume":"294","author":"Zachowski A.","year":"1993","journal-title":"Biochem. J."},{"key":"ref19\/cit19","doi-asserted-by":"crossref","first-page":"2075","DOI":"10.1021\/bi0156557","volume":"41","author":"Pike L. J.","year":"2002","journal-title":"Biochemistry"},{"key":"ref20\/cit20","doi-asserted-by":"crossref","first-page":"405","DOI":"10.1007\/s10822-006-9053-3","volume":"20","author":"Filizola M.","year":"2006","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref21\/cit21","first-page":"12","author":"Martinez-Archundia M.","year":"2012","journal-title":"J. Biomed. Biotechnol."},{"key":"ref22\/cit22","first-page":"61","volume":"3","author":"Lai P. C.","year":"2012","journal-title":"Front. Genet."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"236","DOI":"10.1038\/nature09665","volume":"469","author":"Rosenbaum D. M.","year":"2011","journal-title":"Nature"},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"793","DOI":"10.3797\/scipharm.1106-24","volume":"79","author":"Zare B.","year":"2011","journal-title":"Sci. Pharm."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"4576","DOI":"10.1021\/ja042715y","volume":"127","author":"Pitman M. C.","year":"2005","journal-title":"J. Am. Chem. Soc."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","first-page":"e1002473","DOI":"10.1371\/journal.pcbi.1002473","volume":"8","author":"Shan J.","year":"2012","journal-title":"PLoS Comput. Biol."},{"key":"ref27\/cit27","doi-asserted-by":"crossref","first-page":"6026","DOI":"10.1021\/jp0686339","volume":"111","author":"Leekumjorn S.","year":"2007","journal-title":"J. Phys. Chem. B."},{"key":"ref28\/cit28","doi-asserted-by":"crossref","first-page":"415","DOI":"10.1016\/S0300-9084(00)80009-7","volume":"80","author":"Ceccarelli M.","year":"1998","journal-title":"Biochimie"},{"key":"ref29\/cit29","doi-asserted-by":"crossref","first-page":"11144","DOI":"10.1021\/ja036138+","volume":"125","author":"Marrink S. J.","year":"2003","journal-title":"J. Am. Chem. Soc."},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"2","DOI":"10.1016\/j.chemphyslip.2006.02.024","volume":"141","author":"Sperotto M. M.","year":"2006","journal-title":"Chem. Phys. Lipids"},{"key":"ref31\/cit31","doi-asserted-by":"crossref","first-page":"2005","DOI":"10.1016\/S0006-3495(94)80993-2","volume":"66","author":"Li S.","year":"1994","journal-title":"Biophys. J."},{"key":"ref32\/cit32","doi-asserted-by":"crossref","first-page":"29","DOI":"10.1016\/S0009-3084(99)00072-9","volume":"102","author":"Barenholz Y.","year":"1999","journal-title":"Chem. Phys. Lipids"},{"key":"ref33\/cit33","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1016\/S0005-2736(02)00402-9","volume":"1564","author":"Wang X.","year":"2002","journal-title":"Biochim. Biophys. Acta, Biomembr."},{"key":"ref34\/cit34","doi-asserted-by":"crossref","first-page":"66","DOI":"10.1016\/S0163-7827(01)00020-0","volume":"41","author":"Ohvo-Rekila H.","year":"2002","journal-title":"Prog. Lipid Res."},{"issue":"5","key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"1168","DOI":"10.1021\/ci300610w","volume":"53","author":"Ng H. W.","year":"2013","journal-title":"J. Chem. Inf. Model."},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"4194","DOI":"10.1021\/bi200100t","volume":"50","author":"Rodriguez D.","year":"2011","journal-title":"Biochemistry"},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"437","DOI":"10.1007\/s10822-007-9127-x","volume":"21","author":"Schlegel B.","year":"2007","journal-title":"J. Comput.-Aided Mol. Des."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"2078","DOI":"10.1016\/S0006-3495(04)74268-X","volume":"86","author":"Huber T.","year":"2004","journal-title":"Biophys. J."},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"611","DOI":"10.1016\/j.jmb.2011.10.015","volume":"414","author":"Goetz A.","year":"2011","journal-title":"J. Mol. Biol."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"1211","DOI":"10.1126\/science.1164772","volume":"322","author":"Jaakola V.-P.","year":"2008","journal-title":"Science"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"2002","DOI":"10.1016\/S0006-3495(97)78845-3","volume":"72","author":"Berger O. E. O.","year":"1997","journal-title":"Biophys. J."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"2169","DOI":"10.1002\/jcc.21507","volume":"31","author":"Wolf M. G.","year":"2010","journal-title":"J. Comput. Chem."},{"key":"ref43\/cit43","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":"ref44\/cit44","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":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"435","DOI":"10.1021\/ct700301q","volume":"4","author":"Hess B. K. C.","year":"2008","journal-title":"J. Chem. Theory Comput."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"331","DOI":"10.1007\/978-94-015-7658-1_21","volume-title":"In Intermolecular Forces","author":"Berendsen H. P. J.","year":"1981"},{"key":"ref47\/cit47","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":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","volume":"18","author":"Hess B. B.","year":"1997","journal-title":"J. Comput. Chem."},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"014101","DOI":"10.1063\/1.2408420","volume":"126","author":"Bussi G. D. D.","year":"2007","journal-title":"J. Chem. Phys."},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"7182","DOI":"10.1063\/1.328693","volume":"52","author":"Parinello M.","year":"1981","journal-title":"J. Appl. Phys."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"1952","DOI":"10.1002\/jcc.21172","volume":"30","author":"Allen W. J.","year":"2009","journal-title":"J. Comput. Chem."},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","volume":"25","author":"Pettersen E. F.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","volume":"14","author":"Humphrey W.","year":"1996","journal-title":"J. Mol. Graphics"},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"395","DOI":"10.1016\/j.str.2008.12.017","volume":"17","author":"Bondar A.-N.","year":"2009","journal-title":"Structure"},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1142\/S1793292011002317","volume":"06","author":"Shityakov S.","year":"2011","journal-title":"Nano"},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"3496","DOI":"10.1529\/biophysj.103.034322","volume":"86","author":"Gullingsrud J.","year":"2004","journal-title":"Biophys. J."},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"13715","DOI":"10.1021\/jp901840u","volume":"113","author":"Pantano D. A.","year":"2009","journal-title":"J. Phys. Chem. B"},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"3176","DOI":"10.1016\/S0006-3495(99)77469-2","volume":"76","author":"Harroun T. A.","year":"1999","journal-title":"Biophys. J."},{"key":"ref59\/cit59","doi-asserted-by":"crossref","first-page":"937","DOI":"10.1016\/S0006-3495(99)77257-7","volume":"76","author":"Harroun T. A.","year":"1999","journal-title":"Biophys. J."},{"key":"ref60\/cit60","doi-asserted-by":"crossref","first-page":"107","DOI":"10.1146\/annurev.biophys.36.040306.132643","volume":"36","author":"Andersen O. S.","year":"2007","journal-title":"Annu. Rev. Biophys. Biomol. Struct."},{"key":"ref61\/cit61","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/S0005-2736(03)00056-7","volume":"1612","author":"Lee A. G.","year":"2003","journal-title":"Biochim. Biophys. Acta"},{"key":"ref62\/cit62","doi-asserted-by":"crossref","first-page":"1883","DOI":"10.1073\/pnas.0408306102","volume":"102","author":"Urban S.","year":"2005","journal-title":"Proc. Natl. Acad. Sci. U. S. A."},{"key":"ref63\/cit63","doi-asserted-by":"crossref","first-page":"909","DOI":"10.1016\/S0969-2126(99)80118-X","volume":"7","author":"Belrhali H.","year":"1999","journal-title":"Structure"},{"key":"ref64\/cit64","doi-asserted-by":"crossref","first-page":"1409","DOI":"10.1016\/j.jmb.2004.08.090","volume":"343","author":"Li J.","year":"2004","journal-title":"J. Mol. Biol."},{"key":"ref65\/cit65","doi-asserted-by":"crossref","first-page":"897","DOI":"10.1016\/j.str.2008.05.001","volume":"16","author":"Hanson M. A.","year":"2008","journal-title":"Structure"},{"key":"ref66\/cit66","doi-asserted-by":"crossref","first-page":"232","DOI":"10.1126\/science.1219218","volume":"337","author":"Liu W.","year":"2012","journal-title":"Science"},{"key":"ref67\/cit67","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/0009-3084(94)90180-5","volume":"73","author":"Brown M. F.","year":"1994","journal-title":"Chem. Phys. Lipids"},{"key":"ref68\/cit68","doi-asserted-by":"crossref","first-page":"817","DOI":"10.1016\/j.bpj.2010.04.068","volume":"99","author":"Soubias O.","year":"2010","journal-title":"Biophys. J."},{"key":"ref69\/cit69","doi-asserted-by":"crossref","first-page":"92","DOI":"10.1002\/(SICI)1097-0134(199601)24:1<92::AID-PROT7>3.0.CO;2-Q","volume":"24","author":"Woolf T. B.","year":"1996","journal-title":"Proteins"},{"key":"ref70\/cit70","doi-asserted-by":"crossref","first-page":"295","DOI":"10.1016\/j.bbamem.2008.11.020","volume":"1788","author":"Paila Y. D.","year":"2009","journal-title":"Biochim. Biophys. Acta"},{"key":"ref71\/cit71","doi-asserted-by":"crossref","first-page":"39","DOI":"10.1016\/j.chemphyslip.2013.02.002","volume":"169","author":"Lee J. Y.","year":"2012","journal-title":"Chem. Phys. Lipids"},{"key":"ref72\/cit72","doi-asserted-by":"crossref","first-page":"16512","DOI":"10.1021\/ja307532d","volume":"134","author":"Lee J. Y.","year":"2012","journal-title":"J. Am. Chem. Soc."}],"container-title":["Journal of Chemical Information and Modeling"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/ci400463z","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,15]],"date-time":"2023-04-15T12:07:56Z","timestamp":1681560476000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/ci400463z"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2014,2,7]]},"references-count":72,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2014,2,24]]}},"alternative-id":["10.1021\/ci400463z"],"URL":"https:\/\/doi.org\/10.1021\/ci400463z","relation":{},"ISSN":["1549-9596","1549-960X"],"issn-type":[{"value":"1549-9596","type":"print"},{"value":"1549-960X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2014,2,7]]}}}