{"id":25210,"date":"2018-07-11T16:01:25","date_gmt":"2018-07-11T14:01:25","guid":{"rendered":"http:\/\/www.h-its.org\/?p=25210"},"modified":"2019-03-22T09:33:57","modified_gmt":"2019-03-22T08:33:57","slug":"tauramd-de","status":"publish","type":"post","link":"https:\/\/www.h-its.org\/de\/2018\/07\/11\/tauramd-de\/","title":{"rendered":"Neue Computermethode f\u00fcr die Wirkstoffforschung"},"content":{"rendered":"\n<div class=\"wp-block-image dt-single-image\"><figure class=\"alignleft\"><a class=\"dt-single-image\" href=\"https:\/\/www.h-its.org\/wp-content\/uploads\/2018\/07\/CoverGraphics.png\"><img decoding=\"async\" src=\"http:\/\/www.h-its.org\/wp-content\/uploads\/2018\/07\/CoverGraphics-295x300.png\" alt=\"\" class=\"wp-image-25218\" \/><\/a><figcaption>Die Grafik f\u00fcr das Titelbild der JCTC (Bild: Daria Kokh\/HITS)<\/figcaption><\/figure><\/div>\n\n\n\n<p>HITS-Wissenschaftlerinnen haben tauRAMD entwickelt, ein rechnerisches Werkzeug, das aus Kurzsimulationen die Verweildauer von Medikamenten im Zielmolek\u00fcl prognostiziert. Sie ver\u00f6ffentlichen ihre Methode im Journal of Chemical Theory and Computation, das die Publikation auf die Titelseite der Juli-Ausgabe setzte. Die Software ist kostenfrei erh\u00e4ltlich.<\/p>\n\n\n\n<p><a href=\"http:\/\/www.h-its.org\/scientific-news\/tauramd_en\/\" target=\"_blank\" rel=\"noopener noreferrer\"><strong>Mehr Information<\/strong> (in englischer Sprache):<\/a><\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Publikation (open-access license):<\/h2>\n\n\n\n<p>https:\/\/pubs.acs.org\/doi\/abs\/10.1021\/acs.jctc.8b00230)<\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Software-Download:<\/h2>\n\n\n\n<p><blockquote class=\"wp-embedded-content\" data-secret=\"VS6VWtHbX6\"><a href=\"https:\/\/www.h-its.org\/downloads\/ramd\/\">RAMD<\/a><\/blockquote><iframe loading=\"lazy\" class=\"wp-embedded-content\" sandbox=\"allow-scripts\" security=\"restricted\" style=\"position: absolute; clip: rect(1px, 1px, 1px, 1px);\" title=\"&#8220;RAMD&#8221; &#8212; HITS\" src=\"https:\/\/www.h-its.org\/downloads\/ramd\/embed\/#?secret=BV0Ub69bQH#?secret=VS6VWtHbX6\" data-secret=\"VS6VWtHbX6\" width=\"500\" height=\"282\" frameborder=\"0\" marginwidth=\"0\" marginheight=\"0\" scrolling=\"no\"><\/iframe><\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Wissenschaftlicher Kontakt:<\/h2>\n\n\n\n<p>Prof. Dr. Rebecca Wade<br>Molecular and Cellular Modeling Group<br>Heidelberger Institut f\u00fcr Theoretische Studien(HITS)<br>+49 6221 533 247<br><a href=\"mailto:rebecca.wade@h-its.org\">rebecca.wade@h-its.org<\/a><\/p>\n\n\n\n<h2 class=\"wp-block-heading\">Medienkontakt:<\/h2>\n\n\n\n<p>Dr. Peter Saueressig<br>Head of Communications<br>Heidelberger Institut f\u00fcr Theoretische Studien(HITS)<br>+49 6221 533 245<br>peter.saueressig@h-its.org<\/p>\n\n\n\n<figure class=\"wp-block-image dt-single-image\"><a class=\"dt-single-image\" href=\"https:\/\/www.h-its.org\/wp-content\/uploads\/2018\/07\/jctcce_v014i007.jpg\"><img decoding=\"async\" src=\"http:\/\/www.h-its.org\/wp-content\/uploads\/2018\/07\/jctcce_v014i007-226x300.jpg\" alt=\"\" class=\"wp-image-25207\" \/><\/a><figcaption>The cover image of JCTC, July 2018, illustrates the TauRAMD method which is based on the Random Acceleration Molecular Dynamics technique and designed for computation of the relative residence times, tau, of drug-like compounds. (image by: Daria Kokh, HITS; courtesy of: JCTC)<\/figcaption><\/figure>\n","protected":false},"excerpt":{"rendered":"<p>HITS-Wissenschaftlerinnen haben tauRAMD entwickelt, ein rechnerisches Werkzeug, das aus Kurzsimulationen die Verweildauer von Medikamenten im Zielmolek\u00fcl prognostiziert. Sie ver\u00f6ffentlichen &#8230;<\/p>\n","protected":false},"author":58,"featured_media":30253,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"inline_featured_image":false,"footnotes":""},"categories":[92,1329],"hits-research-group":[1298],"class_list":["post-25210","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-wissenschaftsnews","category-pressemitteilungen","hits-research-group-mcm-de"],"acf":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.2 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Neue Computermethode f\u00fcr die Wirkstoffforschung - HITS gGmbH<\/title>\n<meta name=\"robots\" content=\"index, follow, max-snippet:-1, max-image-preview:large, max-video-preview:-1\" \/>\n<link rel=\"canonical\" href=\"https:\/\/www.h-its.org\/de\/2018\/07\/11\/tauramd-de\/\" \/>\n<meta property=\"og:locale\" content=\"de_DE\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Neue Computermethode f\u00fcr die Wirkstoffforschung - HITS gGmbH\" \/>\n<meta property=\"og:description\" content=\"HITS-Wissenschaftlerinnen haben tauRAMD entwickelt, ein rechnerisches Werkzeug, das aus Kurzsimulationen die Verweildauer von Medikamenten im Zielmolek\u00fcl prognostiziert. 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