{"id":339,"date":"2015-04-03T16:03:19","date_gmt":"2015-04-04T00:03:19","guid":{"rendered":"http:\/\/probemonkey.com\/?page_id=339"},"modified":"2015-08-04T11:02:32","modified_gmt":"2015-08-04T19:02:32","slug":"dynamicsmd","status":"publish","type":"page","link":"https:\/\/probemonkey.com\/?page_id=339","title":{"rendered":"Dynamics\/MD"},"content":{"rendered":"<p style=\"text-align: justify;\">To gain molecular-scale insight into the protein interactions that stabilize concentrated solutions of wild-type gamma-crystallins and lead to the formation of aggregates in solutions of their cataract-related mutants, the Tobias and Martin labs are conducting a collaborative effort that employs a multi-scale computational modeling approach that is validated and refined using experimental data, including solution and solid-state NMR, light scattering, and small angle x-ray and neutron scattering. Protein configurations from prolonged molecular dynamics simulations in explicit solvent are used to model protein solutions at physiologically relevant concentrations using implicit-solvent Monte Carlo simulations. The resulting multi-protein configurations are further refined using all-atom molecular dynamics simulations. The same approach will be applied to elucidate the molecular-scale details of the interactions of wild-type and cataract-related variants of gamma-crystallins with alphaB-crystallin.<\/p>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>To gain molecular-scale insight into the protein interactions that stabilize concentrated solutions of wild-type gamma-crystallins and lead to the formation&hellip;<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"open","template":"page-templates\/page-fullwidth.php","meta":{"_acf_changed":false,"footnotes":""},"class_list":["post-339","page","type-page","status-publish","hentry"],"acf":[],"_links":{"self":[{"href":"https:\/\/probemonkey.com\/index.php?rest_route=\/wp\/v2\/pages\/339","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/probemonkey.com\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/probemonkey.com\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/probemonkey.com\/index.php?rest_route=\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/probemonkey.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=339"}],"version-history":[{"count":4,"href":"https:\/\/probemonkey.com\/index.php?rest_route=\/wp\/v2\/pages\/339\/revisions"}],"predecessor-version":[{"id":600,"href":"https:\/\/probemonkey.com\/index.php?rest_route=\/wp\/v2\/pages\/339\/revisions\/600"}],"wp:attachment":[{"href":"https:\/\/probemonkey.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=339"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}