{"id":2165,"date":"2024-04-10T13:19:12","date_gmt":"2024-04-10T11:19:12","guid":{"rendered":"http:\/\/10.128.3.28\/?page_id=2165"},"modified":"2025-08-29T11:57:24","modified_gmt":"2025-08-29T09:57:24","slug":"proyecto-in-silico-design-of-light-propelled-molecular-machines-for-the-scrutiny-and-control-of-biological-processes","status":"publish","type":"page","link":"https:\/\/computaex.es\/en\/proyectos\/proyecto-in-silico-design-of-light-propelled-molecular-machines-for-the-scrutiny-and-control-of-biological-processes\/","title":{"rendered":"In silico design of light propelled molecular machines for the scrutiny and control of biological processes"},"content":{"rendered":"<div class=\"field field-name-field-proy-investigadores field-type-text-long field-label-above\">\n<div class=\"field-label\" style=\"text-align: justify;\"><strong>Investigadores:\u00a0<\/strong><\/div>\n<div class=\"field-items\" style=\"text-align: justify;\">\n<div class=\"field-item even\">\n<ul>\n<li>In\u00e9s Corral P\u00e9rez.\u00a0Universidad Aut\u00f3noma de Madrid [<a href=\"https:\/\/www.uam.es\/\" target=\"_blank\" rel=\"noopener\">UAM<\/a>].<\/li>\n<\/ul>\n<\/div>\n<\/div>\n<\/div>\n<div class=\"field field-name-field-proy-descripcion field-type-text-long field-label-above\" style=\"text-align: justify;\">\n<div class=\"field-label\"><strong>Descripci\u00f3n:\u00a0<\/strong><\/div>\n<div class=\"field-items\">\n<div class=\"field-item even\">\n<p>Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (<a href=\"https:\/\/www.res.es\/\" target=\"_blank\" rel=\"noopener\">RES<\/a>).<\/p>\n<p>Light-driven molecular machines afford the monitoring and manipulation of biological and biochemical processes within the same spatial and temporal scales of nature, contributing to their understanding and to the identification of potential dysfunctions. The aim of the present activity is to scrutinize the working mechanism of azo-based BODIPY photoswitches, as prototypes for turn-on hypoxia fluorescent probes, and only-photon unidirectional hemithioindigo molecular motors, employing full dimensional molecular dynamics simulations, and state of the art electronic structure approaches. These results are intended to establish structural-photophysical relationships that might serve as a basis for the rational design of novel biomarkers and molecular motors with improved absorbing properties, efficiency and sensitivity.<\/p>\n<\/div>\n<\/div>\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>Investigadores:\u00a0 In\u00e9s Corral P\u00e9rez.\u00a0Universidad Aut\u00f3noma de Madrid [UAM]. Descripci\u00f3n:\u00a0 Proyecto asignado a trav\u00e9s de la Red Espa\u00f1ola de Supercomputaci\u00f3n (RES). Light-driven molecular machines afford the monitoring and manipulation of biological &#8230;<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":9950,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"categories":[103,81],"tags":[],"class_list":["post-2165","page","type-page","status-publish","hentry","category-ciencias-de-la-vida","category-proyectos"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v27.6 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>In silico design of light propelled molecular machines for the scrutiny and control of biological processes - Fundaci\u00f3n COMPUTAEX<\/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:\/\/computaex.es\/en\/proyectos\/proyecto-in-silico-design-of-light-propelled-molecular-machines-for-the-scrutiny-and-control-of-biological-processes\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"In silico design of light propelled molecular machines for the scrutiny and control of biological processes - Fundaci\u00f3n COMPUTAEX\" \/>\n<meta property=\"og:description\" content=\"Investigadores:\u00a0 In\u00e9s Corral P\u00e9rez.\u00a0Universidad Aut\u00f3noma de Madrid [UAM]. 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