{"id":86,"date":"2014-05-08T12:45:59","date_gmt":"2014-05-08T17:45:59","guid":{"rendered":"https:\/\/my.dev.vanderbilt.edu\/mums\/?page_id=86"},"modified":"2014-05-08T12:45:59","modified_gmt":"2014-05-08T17:45:59","slug":"mccabe-group-lipid-membrane-simulation","status":"publish","type":"page","link":"https:\/\/my.dev.vanderbilt.edu\/mums\/research\/mccabe-group-lipid-membrane-simulation\/","title":{"rendered":"McCabe Group: Lipid Membrane Simulation"},"content":{"rendered":"<h4>Lipid Membrane Simulation<\/h4>\n<p style=\"text-align: left\">The barrier function of the skin is localized to the stratum corneum (SC) layer, composed of corneocytes (dead skin cells) surrounded by a lipid matrix rich in ceramides, cholesterol, and free fatty acids.\u00a0The McCabe group uses molecular simulation to investigate the ceramide-based bilayers, to investigate the structure and morphology of bilayers to understand the structure-property relationships responsible for barrier function.<\/p>\n<p style=\"text-align: left\">This work involves the use of fully atomistic models as well as the creation of novel methods for the development of coarse-grained models. In conjunction with the Cummings group, advanced free energy methods (e.g., the Wang-Landau and statistical temperature molecular dynamics methods) are also employed to investigate the phase transitions in coarse-grained phenomenological lipid models.<\/p>\n<div id=\"attachment_87\" style=\"width: 530px\" class=\"wp-caption aligncenter\"><a href=\"https:\/\/cdn-dev.vanderbilt.edu\/t2-my-dev\/wp-content\/uploads\/sites\/1417\/2014\/05\/CER.jpg\"><img loading=\"lazy\" decoding=\"async\" aria-describedby=\"caption-attachment-87\" class=\"size-large wp-image-87 \" src=\"https:\/\/cdn-dev.vanderbilt.edu\/t2-my-dev\/wp-content\/uploads\/sites\/1417\/2014\/05\/CER-650x449.jpg\" alt=\"\" width=\"520\" height=\"359\" srcset=\"https:\/\/cdn-dev.vanderbilt.edu\/t2-my-dev\/wp-content\/uploads\/sites\/1417\/2014\/05\/CER-650x449.jpg 650w, https:\/\/cdn-dev.vanderbilt.edu\/t2-my-dev\/wp-content\/uploads\/sites\/1417\/2014\/05\/CER-300x207.jpg 300w, https:\/\/cdn-dev.vanderbilt.edu\/t2-my-dev\/wp-content\/uploads\/sites\/1417\/2014\/05\/CER.jpg 834w\" sizes=\"auto, (max-width: 520px) 100vw, 520px\" \/><\/a><p id=\"caption-attachment-87\" class=\"wp-caption-text\">The McCabe group investigates ceramide bilayers to understand the barrier function of skin.<\/p><\/div>\n<h5>Selected Related Publications:<\/h5>\n<ul>\n<li>Guo S, Moore TC, Iacovella CR, Strickland LA, McCabe C,\u00a0<strong>(2013)<\/strong><a href=\"http:\/\/pubs.acs.org\/doi\/abs\/10.1021\/ct400431e\" target=\"_blank\">Simulation Study of the Structure and Phase Behavior of Ceramide Bilayers and the Role of Lipid Head Group Chemistry<\/a>,\u00a0<em>Journal of Chemical Theory and Computation<\/em>, 9\u00a0(11), pp 5116\u20135126<br \/>\n&#8211;<a href=\"http:\/\/dx.doi.org\/10.1021\/ct400431e\">DOI:10.1021\/ct400431e<\/a><\/li>\n<\/ul>\n<ul>\n<li>Gai L, Vogel T, Maerzke K, Iacovella CR, Landau D, Cummings PT, McCabe C,\u00a0<strong>(2013) <\/strong><a href=\"http:\/\/link.aip.org\/link\/doi\/10.1063\/1.4816520\" target=\"_blank\">Examining the phase transition behavior of amphiphilic lipids in solution using statistical temperature molecular dynamics and replica-exchange Wang-Landau methods<\/a>,\u00a0<em>The Journal of Chemical Physics,<\/em><strong>139<\/strong>, 054505<br \/>\n&#8211;<a href=\"http:\/\/dx.doi.org\/10.1063\/1.4816520\" target=\"_blank\">DOI:10.1063\/1.4816520<\/a><\/li>\n<\/ul>\n<ul>\n<li><\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Lipid Membrane Simulation The barrier function of the skin is localized to the stratum corneum (SC) layer, composed of corneocytes (dead skin cells) surrounded by a lipid matrix rich in ceramides, cholesterol, and free fatty acids.\u00a0The McCabe group uses molecular simulation to investigate the ceramide-based bilayers, to investigate the structure and morphology of bilayers to&#8230;<\/p>\n","protected":false},"author":416,"featured_media":87,"parent":43,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"tags":[7],"class_list":["post-86","page","type-page","status-publish","has-post-thumbnail","hentry","tag-featured"],"_links":{"self":[{"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/pages\/86","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/users\/416"}],"replies":[{"embeddable":true,"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/comments?post=86"}],"version-history":[{"count":2,"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/pages\/86\/revisions"}],"predecessor-version":[{"id":89,"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/pages\/86\/revisions\/89"}],"up":[{"embeddable":true,"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/pages\/43"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/media\/87"}],"wp:attachment":[{"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/media?parent=86"}],"wp:term":[{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/my.dev.vanderbilt.edu\/mums\/wp-json\/wp\/v2\/tags?post=86"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}