{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,14]],"date-time":"2026-10-14T15:05:37Z","timestamp":1791990337771,"version":"4.4.0"},"reference-count":69,"publisher":"Elsevier BV","issue":"1","license":[{"start":{"date-parts":[[2019,7,1]],"date-time":"2019-07-01T00:00:00Z","timestamp":1561939200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/tdm\/userlicense\/1.0\/"},{"start":{"date-parts":[[2019,7,1]],"date-time":"2019-07-01T00:00:00Z","timestamp":1561939200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/www.elsevier.com\/legal\/tdmrep-license"},{"start":{"date-parts":[[2020,7,9]],"date-time":"2020-07-09T00:00:00Z","timestamp":1594252800000},"content-version":"vor","delay-in-days":374,"URL":"http:\/\/www.elsevier.com\/open-access\/userlicense\/1.0\/"}],"funder":[{"DOI":"10.13039\/100000060","name":"National Institute of Allergy and Infectious Diseases","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100000060","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["cell.com","elsevier.com","sciencedirect.com"],"crossmark-restriction":true},"short-container-title":["Biophysical Journal"],"published-print":{"date-parts":[[2019,7]]},"DOI":"10.1016\/j.bpj.2019.05.012","type":"journal-article","created":{"date-parts":[[2019,5,20]],"date-time":"2019-05-20T21:00:26Z","timestamp":1558386026000},"page":"87-98","update-policy":"https:\/\/doi.org\/10.1016\/elsevier_cm_policy","source":"Crossref","is-referenced-by-count":23,"title":["Mycolactone Toxin Membrane Permeation: Atomistic versus Coarse-Grained MARTINI Simulations"],"prefix":"10.1016","volume":"117","author":[{"given":"Fikret","family":"Aydin","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Rui","family":"Sun","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jessica M.J.","family":"Swanson","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"78","reference":[{"key":"10.1016\/j.bpj.2019.05.012_bib1","doi-asserted-by":"crossref","first-page":"854","DOI":"10.1126\/science.283.5403.854","article-title":"Mycolactone: a polyketide toxin from Mycobacterium ulcerans required for virulence","volume":"283","author":"George","year":"1999","journal-title":"Science"},{"key":"10.1016\/j.bpj.2019.05.012_bib2","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1016\/j.det.2010.09.006","article-title":"Buruli ulcer: advances in understanding Mycobacterium ulcerans infection","volume":"29","author":"Walsh","year":"2011","journal-title":"Dermatol. Clin"},{"key":"10.1016\/j.bpj.2019.05.012_bib3","doi-asserted-by":"crossref","first-page":"1527","DOI":"10.1039\/c3np70068b","article-title":"History, biology and chemistry of Mycobacterium ulcerans infections (Buruli ulcer disease)","volume":"30","author":"Chany","year":"2013","journal-title":"Nat. Prod. Rep"},{"key":"10.1016\/j.bpj.2019.05.012_bib4","doi-asserted-by":"crossref","first-page":"e62","DOI":"10.1371\/journal.ppat.0030062","article-title":"Impact of Mycobacterium ulcerans biofilm on transmissibility to ecological niches and Buruli ulcer pathogenesis","volume":"3","author":"Marsollier","year":"2007","journal-title":"PLoS Pathog"},{"key":"10.1016\/j.bpj.2019.05.012_bib5","doi-asserted-by":"crossref","first-page":"177","DOI":"10.1042\/BST20130133","article-title":"Pleiotropic molecular effects of the Mycobacterium ulcerans virulence factor mycolactone underlying the cell death and immunosuppression seen in Buruli ulcer","volume":"42","author":"Hall","year":"2014","journal-title":"Biochem. Soc. Trans"},{"key":"10.1016\/j.bpj.2019.05.012_bib6","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1111\/cmi.12547","article-title":"Recent advances: role of mycolactone in the pathogenesis and monitoring of Mycobacterium ulcerans infection\/Buruli ulcer disease","volume":"18","author":"Sarfo","year":"2016","journal-title":"Cell. Microbiol"},{"key":"10.1016\/j.bpj.2019.05.012_bib7","doi-asserted-by":"crossref","first-page":"2885","DOI":"10.1084\/jem.20160662","article-title":"Mycolactone subverts immunity by selectively blocking the Sec61 translocon","volume":"213","author":"Baron","year":"2016","journal-title":"J.\u00a0Exp. Med"},{"key":"10.1016\/j.bpj.2019.05.012_bib8","doi-asserted-by":"crossref","first-page":"e1004061","DOI":"10.1371\/journal.ppat.1004061","article-title":"The pathogenic mechanism of the Mycobacterium ulcerans virulence factor, mycolactone, depends on blockade of protein translocation into the ER","volume":"10","author":"Hall","year":"2014","journal-title":"PLoS Pathog"},{"key":"10.1016\/j.bpj.2019.05.012_bib9","doi-asserted-by":"crossref","first-page":"1404","DOI":"10.1242\/jcs.182352","article-title":"Mechanistic insights into the inhibition of Sec61-dependent co- and post-translational translocation by mycolactone","volume":"129","author":"McKenna","year":"2016","journal-title":"J.\u00a0Cell Sci"},{"key":"10.1016\/j.bpj.2019.05.012_bib10","doi-asserted-by":"crossref","first-page":"1565","DOI":"10.1016\/j.cell.2014.04.040","article-title":"Mycobacterial toxin induces analgesia in buruli ulcer by targeting the angiotensin pathways","volume":"157","author":"Marion","year":"2014","journal-title":"Cell"},{"key":"10.1016\/j.bpj.2019.05.012_bib11","doi-asserted-by":"crossref","first-page":"E227","DOI":"10.3390\/toxins9070227","article-title":"A bacterial toxin with analgesic properties: hyperpolarization of DRG neurons by mycolactone","volume":"9","author":"Song","year":"2017","journal-title":"Toxins (Basel)"},{"key":"10.1016\/j.bpj.2019.05.012_bib12","doi-asserted-by":"crossref","first-page":"5685","DOI":"10.1073\/pnas.0406472102","article-title":"The nucleotide switch in Cdc42 modulates coupling between the GTPase-binding and allosteric equilibria of Wiskott-Aldrich syndrome protein","volume":"102","author":"Leung","year":"2005","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.bpj.2019.05.012_bib13","doi-asserted-by":"crossref","first-page":"E472","DOI":"10.1073\/pnas.1100236108","article-title":"Arp2\/3 complex is bound and activated by two WASP proteins","volume":"108","author":"Padrick","year":"2011","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.bpj.2019.05.012_bib14","doi-asserted-by":"crossref","first-page":"e1006814","DOI":"10.1371\/journal.ppat.1006814","article-title":"The potent effect of mycolactone on lipid membranes","volume":"14","author":"Nitenberg","year":"2018","journal-title":"PLoS Pathog"},{"key":"10.1016\/j.bpj.2019.05.012_bib15","doi-asserted-by":"crossref","first-page":"1451","DOI":"10.1016\/j.bbamem.2013.10.019","article-title":"The fluid-mosaic model of membrane structure: still relevant to understanding the structure, function and dynamics of biological membranes after more than 40 years","volume":"1838","author":"Nicolson","year":"2014","journal-title":"Biochim. Biophys. Acta"},{"key":"10.1016\/j.bpj.2019.05.012_bib16","doi-asserted-by":"crossref","first-page":"2871","DOI":"10.1016\/j.yexcr.2009.07.020","article-title":"Domains in biological membranes","volume":"315","author":"Lindner","year":"2009","journal-title":"Exp. Cell Res"},{"key":"10.1016\/j.bpj.2019.05.012_bib17","doi-asserted-by":"crossref","first-page":"e1005972","DOI":"10.1371\/journal.pcbi.1005972","article-title":"Membrane perturbing properties of toxin mycolactone from Mycobacterium ulcerans","volume":"14","author":"L\u00f3pez","year":"2018","journal-title":"PLoS Comput. Biol"},{"key":"10.1016\/j.bpj.2019.05.012_bib18","doi-asserted-by":"crossref","first-page":"237","DOI":"10.1111\/boc.201800030","article-title":"Sec61 blockade by mycolactone: a central mechanism in Buruli ulcer disease","volume":"110","author":"Demangel","year":"2018","journal-title":"Biol. Cell"},{"key":"10.1016\/j.bpj.2019.05.012_bib19","doi-asserted-by":"crossref","DOI":"10.1128\/JCM.01507-17","article-title":"Buruli ulcer: review of a neglected skin mycobacterial disease","volume":"56","author":"Guarner","year":"2018","journal-title":"J.\u00a0Clin. Microbiol"},{"key":"10.1016\/j.bpj.2019.05.012_bib20","series-title":"Buruli ulcer (Mycobacterium Ulcerans Infection)","year":"2017"},{"key":"10.1016\/j.bpj.2019.05.012_bib21","doi-asserted-by":"crossref","first-page":"1185","DOI":"10.2217\/fmb.11.101","article-title":"Treating Mycobacterium ulcerans disease (Buruli ulcer): from surgery to antibiotics, is the pill mightier than the knife?","volume":"6","author":"Converse","year":"2011","journal-title":"Future Microbiol"},{"key":"10.1016\/j.bpj.2019.05.012_bib22","doi-asserted-by":"crossref","DOI":"10.1128\/AAC.02171-18","article-title":"Oxazolidinones can replace clarithromycin in combination with rifampin in a mouse model of buruli ulcer","volume":"63","author":"Almeida","year":"2019","journal-title":"Antimicrob. Agents Chemother"},{"key":"10.1016\/j.bpj.2019.05.012_bib23","doi-asserted-by":"crossref","DOI":"10.1128\/AAC.01478-18","article-title":"High-dose rifamycins enable shorter oral treatment in a murine model of Mycobacterium ulcerans disease","volume":"63","author":"Omansen","year":"2019","journal-title":"Antimicrob. Agents Chemother"},{"key":"10.1016\/j.bpj.2019.05.012_bib24","doi-asserted-by":"crossref","first-page":"e0006728","DOI":"10.1371\/journal.pntd.0006728","article-title":"Shorter-course treatment for Mycobacterium ulcerans disease with high-dose rifamycins and clofazimine in a mouse model of Buruli ulcer","volume":"12","author":"Converse","year":"2018","journal-title":"PLoS Negl. Trop. Dis"},{"key":"10.1016\/j.bpj.2019.05.012_bib25","doi-asserted-by":"crossref","first-page":"e0003823","DOI":"10.1371\/journal.pntd.0003823","article-title":"Efficacy of rifampin plus clofazimine in a murine model of Mycobacterium ulcerans disease","volume":"9","author":"Converse","year":"2015","journal-title":"PLoS Negl. Trop. Dis"},{"key":"10.1016\/j.bpj.2019.05.012_bib26","doi-asserted-by":"crossref","first-page":"e2618","DOI":"10.1371\/journal.pntd.0002618","article-title":"Accelerated detection of mycolactone production and response to antibiotic treatment in a mouse model of Mycobacterium ulcerans disease","volume":"8","author":"Converse","year":"2014","journal-title":"PLoS Negl. Trop. Dis"},{"key":"10.1016\/j.bpj.2019.05.012_bib27","doi-asserted-by":"crossref","first-page":"e2598","DOI":"10.1371\/journal.pntd.0002598","article-title":"Rapid, serial, non-invasive assessment of drug efficacy in mice with autoluminescent Mycobacterium ulcerans infection","volume":"7","author":"Zhang","year":"2013","journal-title":"PLoS Negl. Trop. Dis"},{"key":"10.1016\/j.bpj.2019.05.012_bib28","doi-asserted-by":"crossref","first-page":"e2101","DOI":"10.1371\/journal.pntd.0002101","article-title":"Microbiological, histological, immunological, and toxin response to antibiotic treatment in the mouse model of Mycobacterium ulcerans disease","volume":"7","author":"Sarfo","year":"2013","journal-title":"PLoS Negl. Trop. Dis"},{"key":"10.1016\/j.bpj.2019.05.012_bib29","doi-asserted-by":"crossref","first-page":"e2085","DOI":"10.1371\/journal.pntd.0002085","article-title":"Bactericidal activity does not predict sterilizing activity: the case of rifapentine in the murine model of Mycobacterium ulcerans disease","volume":"7","author":"Almeida","year":"2013","journal-title":"PLoS Negl. Trop. Dis"},{"key":"10.1016\/j.bpj.2019.05.012_bib30","doi-asserted-by":"crossref","first-page":"1000149","DOI":"10.4172\/2161-1068.1000149","article-title":"Genotyping tools for Mycobacterium ulcerans-drawbacks and future prospects","volume":"4","author":"Narh","year":"2014","journal-title":"Mycobact. Dis"},{"key":"10.1016\/j.bpj.2019.05.012_bib31","doi-asserted-by":"crossref","first-page":"e0004808","DOI":"10.1371\/journal.pntd.0004808","article-title":"Antibody-mediated neutralization of the exotoxin mycolactone, the main virulence factor produced by Mycobacterium ulcerans","volume":"10","author":"Dangy","year":"2016","journal-title":"PLoS Negl. Trop. Dis"},{"key":"10.1016\/j.bpj.2019.05.012_bib32","doi-asserted-by":"crossref","first-page":"91","DOI":"10.1016\/S0882-4010(02)00210-3","article-title":"Uptake and cellular actions of mycolactone, a virulence determinant for Mycobacterium ulcerans","volume":"34","author":"Snyder","year":"2003","journal-title":"Microb. Pathog"},{"key":"10.1016\/j.bpj.2019.05.012_bib33","doi-asserted-by":"crossref","first-page":"E202","DOI":"10.3390\/toxins11040202","article-title":"Understanding the significance of biochemistry in the storage, handling, purification, and sampling of amphiphilic mycolactone","volume":"11","author":"Kubicek-Sutherland","year":"2019","journal-title":"Toxins (Basel)"},{"key":"10.1016\/j.bpj.2019.05.012_bib34","doi-asserted-by":"crossref","first-page":"1157","DOI":"10.1002\/jcc.20035","article-title":"Development and testing of a general amber force field","volume":"25","author":"Wang","year":"2004","journal-title":"J.\u00a0Comput. Chem"},{"key":"10.1016\/j.bpj.2019.05.012_bib35","doi-asserted-by":"crossref","first-page":"247","DOI":"10.1016\/j.jmgm.2005.12.005","article-title":"Automatic atom type and bond type perception in molecular mechanical calculations","volume":"25","author":"Wang","year":"2006","journal-title":"J.\u00a0Mol. Graph. Model"},{"key":"10.1016\/j.bpj.2019.05.012_bib36","doi-asserted-by":"crossref","first-page":"3543","DOI":"10.1021\/ct4003477","article-title":"Automated force field parameterization for nonpolarizable and polarizable atomic models based on ab initio target data","volume":"9","author":"Huang","year":"2013","journal-title":"J.\u00a0Chem. Theory Comput"},{"key":"10.1016\/j.bpj.2019.05.012_bib37","doi-asserted-by":"crossref","first-page":"1668","DOI":"10.1002\/jcc.20290","article-title":"The Amber biomolecular simulation programs","volume":"26","author":"Case","year":"2005","journal-title":"J.\u00a0Comput. Chem"},{"key":"10.1016\/j.bpj.2019.05.012_bib38","doi-asserted-by":"crossref","first-page":"3164","DOI":"10.1021\/jp212503e","article-title":"Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipids","volume":"116","author":"J\u00e4mbeck","year":"2012","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"10.1016\/j.bpj.2019.05.012_bib39","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","article-title":"Comparison of simple potential functions for simulating liquid water","volume":"79","author":"Jorgensen","year":"1983","journal-title":"J.\u00a0Chem. Phys"},{"key":"10.1016\/j.bpj.2019.05.012_bib40","doi-asserted-by":"crossref","first-page":"1997","DOI":"10.1002\/jcc.23702","article-title":"CHARMM-GUI Membrane builder toward realistic biological membrane simulations","volume":"35","author":"Wu","year":"2014","journal-title":"J.\u00a0Comput. Chem"},{"key":"10.1016\/j.bpj.2019.05.012_bib41","doi-asserted-by":"crossref","first-page":"159","DOI":"10.1016\/S0304-4157(00)00016-2","article-title":"Structure of lipid bilayers","volume":"1469","author":"Nagle","year":"2000","journal-title":"Biochim. Biophys. Acta"},{"key":"10.1016\/j.bpj.2019.05.012_bib42","doi-asserted-by":"crossref","first-page":"865","DOI":"10.1021\/ct4010307","article-title":"Lipid14: the amber lipid force field","volume":"10","author":"Dickson","year":"2014","journal-title":"J.\u00a0Chem. Theory Comput"},{"key":"10.1016\/j.bpj.2019.05.012_bib43","doi-asserted-by":"crossref","first-page":"014101","DOI":"10.1063\/1.2408420","article-title":"Canonical sampling through velocity rescaling","volume":"126","author":"Bussi","year":"2007","journal-title":"J.\u00a0Chem. Phys"},{"key":"10.1016\/j.bpj.2019.05.012_bib44","doi-asserted-by":"crossref","first-page":"3684","DOI":"10.1063\/1.448118","article-title":"Molecular dynamics with coupling to an external bath","volume":"81","author":"Berendsen","year":"1984","journal-title":"J.\u00a0Chem. Phys"},{"key":"10.1016\/j.bpj.2019.05.012_bib45","doi-asserted-by":"crossref","first-page":"8577","DOI":"10.1063\/1.470117","article-title":"A smooth particle mesh Ewald method","volume":"103","author":"Essmann","year":"1995","journal-title":"J.\u00a0Chem. Phys"},{"key":"10.1016\/j.bpj.2019.05.012_bib46","doi-asserted-by":"crossref","first-page":"1463","DOI":"10.1002\/(SICI)1096-987X(199709)18:12<1463::AID-JCC4>3.0.CO;2-H","article-title":"LINCS: a linear constraint solver for molecular simulations","volume":"18","author":"Hess","year":"1997","journal-title":"J.\u00a0Comput. Chem"},{"key":"10.1016\/j.bpj.2019.05.012_bib47","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/j.softx.2015.06.001","article-title":"GROMACS: high performance molecular simulations through multi-level parallelism from laptops to supercomputers","volume":"1\u20132","author":"Abraham","year":"2015","journal-title":"SoftwareX"},{"key":"10.1016\/j.bpj.2019.05.012_bib48","doi-asserted-by":"crossref","first-page":"604","DOI":"10.1016\/j.cpc.2013.09.018","article-title":"PLUMED 2: new feathers for an old bird","volume":"185","author":"Tribello","year":"2014","journal-title":"Comput. Phys. Commun"},{"key":"10.1016\/j.bpj.2019.05.012_bib49","doi-asserted-by":"crossref","first-page":"12562","DOI":"10.1073\/pnas.202427399","article-title":"Escaping free-energy minima","volume":"99","author":"Laio","year":"2002","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.bpj.2019.05.012_bib50","doi-asserted-by":"crossref","first-page":"126601","DOI":"10.1088\/0034-4885\/71\/12\/126601","article-title":"Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science","volume":"71","author":"Laio","year":"2008","journal-title":"Rep. Prog. Phys"},{"key":"10.1016\/j.bpj.2019.05.012_bib51","doi-asserted-by":"crossref","first-page":"826","DOI":"10.1002\/wcms.31","article-title":"Metadynamics","volume":"1","author":"Barducci","year":"2011","journal-title":"WIRES Comput. Mol. Sci"},{"key":"10.1016\/j.bpj.2019.05.012_bib52","doi-asserted-by":"crossref","first-page":"5157","DOI":"10.1021\/acs.jctc.6b00206","article-title":"Transition-tempered metadynamics is a promising tool for studying the permeation of drug-like molecules through membranes","volume":"12","author":"Sun","year":"2016","journal-title":"J.\u00a0Chem. Theory Comput"},{"key":"10.1016\/j.bpj.2019.05.012_bib53","doi-asserted-by":"crossref","first-page":"2332","DOI":"10.1021\/acs.jctc.7b00077","article-title":"Simulating protein mediated hydrolysis of ATP and other nucleoside triphosphates by combining QM\/MM molecular dynamics with advances in metadynamics","volume":"13","author":"Sun","year":"2017","journal-title":"J.\u00a0Chem. Theory Comput"},{"key":"10.1016\/j.bpj.2019.05.012_bib54","doi-asserted-by":"crossref","first-page":"020603","DOI":"10.1103\/PhysRevLett.100.020603","article-title":"Well-tempered metadynamics: a smoothly converging and tunable free-energy method","volume":"100","author":"Barducci","year":"2008","journal-title":"Phys. Rev. Lett"},{"key":"10.1016\/j.bpj.2019.05.012_bib55","doi-asserted-by":"crossref","first-page":"240602","DOI":"10.1103\/PhysRevLett.112.240602","article-title":"Well-tempered metadynamics converges asymptotically","volume":"112","author":"Dama","year":"2014","journal-title":"Phys. Rev. Lett"},{"key":"10.1016\/j.bpj.2019.05.012_bib56","doi-asserted-by":"crossref","first-page":"3626","DOI":"10.1021\/ct500441q","article-title":"Transition-tempered metadynamics: robust, convergent metadynamics via on-the-fly transition barrier estimation","volume":"10","author":"Dama","year":"2014","journal-title":"J.\u00a0Chem. Theory Comput"},{"key":"10.1016\/j.bpj.2019.05.012_bib57","doi-asserted-by":"crossref","first-page":"164103","DOI":"10.1063\/1.2720838","article-title":"Simplified and improved string method for computing the minimum energy paths in barrier-crossing events","volume":"126","author":"E","year":"2007","journal-title":"J.\u00a0Chem. Phys"},{"key":"10.1016\/j.bpj.2019.05.012_bib58","doi-asserted-by":"crossref","first-page":"072310","DOI":"10.1063\/1.5027004","article-title":"Molecular transport through membranes: accurate permeability coefficients from multidimensional potentials of mean force and local diffusion constants","volume":"149","author":"Sun","year":"2018","journal-title":"J.\u00a0Chem. Phys"},{"key":"10.1016\/j.bpj.2019.05.012_bib59","doi-asserted-by":"crossref","first-page":"819","DOI":"10.1021\/ct700324x","article-title":"The MARTINI coarse-grained force field: extension to proteins","volume":"4","author":"Monticelli","year":"2008","journal-title":"J.\u00a0Chem. Theory Comput"},{"key":"10.1016\/j.bpj.2019.05.012_bib60","doi-asserted-by":"crossref","first-page":"2144","DOI":"10.1021\/acs.jctc.5b00209","article-title":"Computational lipidomics with insane: a versatile tool for generating custom membranes for molecular simulations","volume":"11","author":"Wassenaar","year":"2015","journal-title":"J.\u00a0Chem. Theory Comput"},{"key":"10.1016\/j.bpj.2019.05.012_bib61","doi-asserted-by":"crossref","first-page":"1319","DOI":"10.1016\/j.bbamem.2015.02.025","article-title":"Characterization of thylakoid lipid membranes from cyanobacteria and higher plants by molecular dynamics simulations","volume":"1848","author":"van Eerden","year":"2015","journal-title":"Biochim. Biophys. Acta"},{"key":"10.1016\/j.bpj.2019.05.012_bib62","doi-asserted-by":"crossref","first-page":"e0187936","DOI":"10.1371\/journal.pone.0187936","article-title":"Excessive aggregation of membrane proteins in the Martini model","volume":"12","author":"Javanainen","year":"2017","journal-title":"PLoS One"},{"key":"10.1016\/j.bpj.2019.05.012_bib63","doi-asserted-by":"crossref","first-page":"17367","DOI":"10.1073\/pnas.0807527105","article-title":"The molecular face of lipid rafts in model membranes","volume":"105","author":"Risselada","year":"2008","journal-title":"Proc. Natl. Acad. Sci. USA"},{"key":"10.1016\/j.bpj.2019.05.012_bib64","doi-asserted-by":"crossref","first-page":"750","DOI":"10.1021\/jp036508g","article-title":"Coarse grained model for semiquantitative lipid simulations","volume":"108","author":"Marrink","year":"2004","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"10.1016\/j.bpj.2019.05.012_bib65","first-page":"1934","article-title":"On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models","volume":"11","author":"Winger","year":"2009","journal-title":"Phys. Chem. Chem. Phys"},{"key":"10.1016\/j.bpj.2019.05.012_bib66","doi-asserted-by":"crossref","first-page":"3466","DOI":"10.1021\/acs.jctc.5b00232","article-title":"How tolerant are membrane simulations with mismatch in area per lipid between leaflets?","volume":"11","author":"Park","year":"2015","journal-title":"J.\u00a0Chem. Theory Comput"},{"key":"10.1016\/j.bpj.2019.05.012_bib67","doi-asserted-by":"crossref","first-page":"3443","DOI":"10.1021\/acs.jpcb.6b09111","article-title":"Lipid and peptide diffusion in bilayers: the saffman-delbr\u00fcck model and periodic boundary conditions","volume":"121","author":"Venable","year":"2017","journal-title":"J.\u00a0Phys. Chem. B"},{"key":"10.1016\/j.bpj.2019.05.012_bib68","doi-asserted-by":"crossref","first-page":"245","DOI":"10.1080\/08927022.2013.840902","article-title":"Anomalous lateral diffusion in lipid bilayers observed by molecular dynamics simulations with atomistic and coarse-grained force fields","volume":"40","author":"Stachura","year":"2014","journal-title":"Mol. Simul"},{"key":"10.1016\/j.bpj.2019.05.012_bib69","doi-asserted-by":"crossref","first-page":"021913","DOI":"10.1103\/PhysRevE.76.021913","article-title":"Role of molecular tilt in thermal fluctuations of lipid membranes","volume":"76","author":"May","year":"2007","journal-title":"Phys. Rev. E Stat. Nonlin. Soft Matter Phys"}],"container-title":["Biophysical Journal"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S000634951930414X?httpAccept=text\/xml","content-type":"text\/xml","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/api.elsevier.com\/content\/article\/PII:S000634951930414X?httpAccept=text\/plain","content-type":"text\/plain","content-version":"vor","intended-application":"text-mining"}],"deposited":{"date-parts":[[2025,9,13]],"date-time":"2025-09-13T16:37:03Z","timestamp":1757781423000},"score":1,"resource":{"primary":{"URL":"https:\/\/linkinghub.elsevier.com\/retrieve\/pii\/S000634951930414X"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2019,7]]},"references-count":69,"journal-issue":{"issue":"1","published-print":{"date-parts":[[2019,7]]}},"alternative-id":["S000634951930414X"],"URL":"https:\/\/doi.org\/10.1016\/j.bpj.2019.05.012","relation":{"has-preprint":[{"id-type":"doi","id":"10.1101\/470807","asserted-by":"object"}]},"ISSN":["0006-3495"],"issn-type":[{"value":"0006-3495","type":"print"}],"subject":[],"published":{"date-parts":[[2019,7]]},"assertion":[{"value":"Elsevier","name":"publisher","label":"This article is maintained by"},{"value":"Mycolactone Toxin Membrane Permeation: Atomistic versus Coarse-Grained MARTINI Simulations","name":"articletitle","label":"Article Title"},{"value":"Biophysical Journal","name":"journaltitle","label":"Journal Title"},{"value":"https:\/\/doi.org\/10.1016\/j.bpj.2019.05.012","name":"articlelink","label":"CrossRef DOI link to publisher maintained version"},{"value":"article","name":"content_type","label":"Content Type"},{"value":"\u00a9 2019 Biophysical Society.","name":"copyright","label":"Copyright"}]}}