{"id":44290,"date":"2021-07-05T15:47:21","date_gmt":"2021-07-05T13:47:21","guid":{"rendered":"https:\/\/www.h-its.org\/de\/?p=44290"},"modified":"2021-07-14T09:43:45","modified_gmt":"2021-07-14T07:43:45","slug":"fda","status":"publish","type":"post","link":"https:\/\/www.h-its.org\/de\/2021\/07\/05\/fda\/","title":{"rendered":"FDA \u2013 Die Kraftverteilungsanalyse"},"content":{"rendered":"\n<p>Die Kraftverteilungsanalyse (Englisch: Force distribution analysis; FDA) ist eine Methode, um Kraft- und Spannungsausbreitung in Proteinen zu ermitteln und zu verfolgen, angelehnt an die Finite-Elemente-Methode zur Konstruktion von makroskopischen Strukturen. FDA basiert auf Molekulardynamik (MD) Simulationen, bei denen die Kr\u00e4fte zwischen jedem Paar von Atomen in einem System direkt berechnet werden. Die neueste FDA-Version ist im weit verbreiteten MD-Simulationspaket GROMACS-2020 implementiert (<a href=\"https:\/\/manual.gromacs.org\/documentation\/2020\/index.html\">https:\/\/manual.gromacs.org\/documentation\/2020\/index.html<\/a>). Zu den neusten Anwendungen der FDA geh\u00f6ren die Berechnung der Stresskonzentration in Kollagen und den allosterischen Effekt von Disulfid-br\u00fccken im von-Willebrand-Faktor.<\/p>\n\n\n\n<p><a href=\"https:\/\/www.h-its.org\/wp-content\/uploads\/2021\/07\/graphene_rupture.mp4\">Dieses Beispielvideo<\/a> zeigt die Kr\u00e4fteverteilung beim Zerrei\u00dfen einer Graphenschicht durch eine Nadel eines Rasterkraftmikrosops (Englisch: atomic force mircrospe; AFM).<\/p>\n\n\n\n<p>Der FDA Code wurde in der <a href=\"https:\/\/www.h-its.org\/de\/forschung\/mbm\/\">Molecular Biomechanics (MBM) Gruppe<\/a> am HITS entwickelt und ist auf GitHub verf\u00fcgbar: <a href=\"https:\/\/github.com\/HITS-MBM\/gromacs-fda\">https:\/\/github.com\/HITS-MBM\/gromacs-fda<\/a><\/p>\n\n\n\n<p><strong>Weitere Quellen:<\/strong><\/p>\n\n\n\n<p>Ver\u00f6ffentlichung: Costescu BI, Gr\u00e4ter F. Time-resolved force distribution analysis. BMC Biophys. 2013;6:5. doi: 10.1186\/2046-1682-6-5: <a href=\"https:\/\/bmcbiophys.biomedcentral.com\/articles\/10.1186\/2046-1682-6-5\">https:\/\/bmcbiophys.biomedcentral.com\/articles\/10.1186\/2046-1682-6-5<\/a> <strong><\/strong><\/p>\n\n\n\n<p>Beispiel: <a href=\"https:\/\/www.h-its.org\/projects\/force-triggered-blood-coagulation\/\">https:\/\/www.h-its.org\/projects\/force-triggered-blood-coagulation\/<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Die Kraftverteilungsanalyse (Englisch: Force distribution analysis; FDA) ist eine Methode, um Kraft- und Spannungsausbreitung in Proteinen zu ermitteln und zu verfolgen, &#8230;<\/p>\n","protected":false},"author":6,"featured_media":44293,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"inline_featured_image":false,"footnotes":""},"categories":[1421],"hits-research-group":[],"class_list":["post-44290","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-software-news"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.2 - 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