{"id":2147,"date":"2020-01-30T16:13:00","date_gmt":"2020-01-30T15:13:00","guid":{"rendered":"http:\/\/www.h-its.org\/?p=2147"},"modified":"2021-07-05T13:44:19","modified_gmt":"2021-07-05T11:44:19","slug":"force-distribution-analysis-fda","status":"publish","type":"hits-project","link":"https:\/\/www.h-its.org\/de\/projects\/force-distribution-analysis-fda\/","title":{"rendered":"Force distribution analysis (FDA)"},"content":{"rendered":"\n<p>Force distribution analysis (FDA) is a method to detect and follow force and stress propagation in proteins, reminiscent of Finite Element Analysis used to engineer macroscopic structures. The method is based on Molecuylar Dynamics simulations during which we directly calculate forces between each atom pair in a system. The most recent version of FDA is now implemented in GROMACS-2020.<\/p>\n\n\n\n<p>Recent applications of FDA from our group include the stress concentration in collagen and the allosteric effect of disulfide bonding in <a href=\"https:\/\/www.h-its.org\/projects\/force-triggered-blood-coagulation\/\">von Willebrand factor<\/a>.<\/p>\n\n\n\n<ul class=\"wp-block-social-links alignright is-layout-flex wp-block-social-links-is-layout-flex\">\n\n\n\n\n\n<\/ul>\n\n\n\n<ul class=\"wp-block-social-links alignleft is-layout-flex wp-block-social-links-is-layout-flex\"><li class=\"wp-social-link wp-social-link-github  wp-block-social-link\"><a href=\"https:\/\/github.com\/HITS-MBM\/gromacs-fda\" class=\"wp-block-social-link-anchor\"><svg width=\"24\" height=\"24\" viewBox=\"0 0 24 24\" version=\"1.1\" xmlns=\"http:\/\/www.w3.org\/2000\/svg\" aria-hidden=\"true\" focusable=\"false\"><path d=\"M12,2C6.477,2,2,6.477,2,12c0,4.419,2.865,8.166,6.839,9.489c0.5,0.09,0.682-0.218,0.682-0.484 c0-0.236-0.009-0.866-0.014-1.699c-2.782,0.602-3.369-1.34-3.369-1.34c-0.455-1.157-1.11-1.465-1.11-1.465 c-0.909-0.62,0.069-0.608,0.069-0.608c1.004,0.071,1.532,1.03,1.532,1.03c0.891,1.529,2.341,1.089,2.91,0.833 c0.091-0.647,0.349-1.086,0.635-1.337c-2.22-0.251-4.555-1.111-4.555-4.943c0-1.091,0.39-1.984,1.03-2.682 C6.546,8.54,6.202,7.524,6.746,6.148c0,0,0.84-0.269,2.75,1.025C10.295,6.95,11.15,6.84,12,6.836 c0.85,0.004,1.705,0.114,2.504,0.336c1.909-1.294,2.748-1.025,2.748-1.025c0.546,1.376,0.202,2.394,0.1,2.646 c0.64,0.699,1.026,1.591,1.026,2.682c0,3.841-2.337,4.687-4.565,4.935c0.359,0.307,0.679,0.917,0.679,1.852 c0,1.335-0.012,2.415-0.012,2.741c0,0.269,0.18,0.579,0.688,0.481C19.138,20.161,22,16.416,22,12C22,6.477,17.523,2,12,2z\"><\/path><\/svg><span class=\"wp-block-social-link-label screen-reader-text\">GitHub<\/span><\/a><\/li><\/ul>\n\n\n\n<p>The FDA code can be downloaded from the FDA-GitHub repository.<\/p>\n\n\n\n<figure class=\"wp-block-video\"><video controls src=\"https:\/\/www.h-its.org\/wp-content\/uploads\/2021\/07\/graphene_rupture.mp4\"><\/video><figcaption>A graphene sheet broken by an AFM tip, colored by FDA<\/figcaption><\/figure>\n\n\n\n<p><\/p>\n","protected":false},"author":3,"featured_media":29369,"template":"","hits-research-group":[1296],"hits-project-category":[1396],"class_list":["post-2147","hits-project","type-hits-project","status-publish","has-post-thumbnail","hentry","hits-research-group-mbm-de","hits-project-category-previous-projects-de"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.2 - 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