{"id":22332,"date":"2019-07-12T14:30:40","date_gmt":"2019-07-12T12:30:40","guid":{"rendered":"https:\/\/irb.usi.ch\/?page_id=22332"},"modified":"2025-11-03T14:57:46","modified_gmt":"2025-11-03T12:57:46","slug":"biologia-strutturale-computazionale","status":"publish","type":"page","link":"https:\/\/irb.usi.ch\/it\/biologia-strutturale-computazionale\/","title":{"rendered":"Biologia Strutturale Computazionale"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-post\" data-elementor-id=\"22332\" class=\"elementor elementor-22332 elementor-789\" data-elementor-settings=\"[]\">\n\t\t\t\t\t\t<div class=\"elementor-inner\">\n\t\t\t\t\t\t\t<div class=\"elementor-section-wrap\">\n\t\t\t\t\t\t\t<section class=\"has_ae_slider elementor-section elementor-top-section elementor-element elementor-element-cf9df36 elementor-section-boxed elementor-section-height-default elementor-section-height-default ae-bg-gallery-type-default\" data-id=\"cf9df36\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t\t\t<div class=\"elementor-row\">\n\t\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-79dab28 ae-bg-gallery-type-default\" data-id=\"79dab28\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-0043416 elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"0043416\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-32c4869 elementor-widget elementor-widget-heading\" data-id=\"32c4869\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<p class=\"elementor-heading-title elementor-size-default\">Biologia Strutturale Computazionale<\/p>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-f815dae elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"f815dae\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-8cb4e59 elementor-widget elementor-widget-image\" data-id=\"8cb4e59\" data-element_type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-image\">\n\t\t\t\t\t\t\t\t\t\t<img width=\"2000\" height=\"220\" src=\"https:\/\/irb.usi.ch\/images\/Computational-Structural-Biology-.jpg\" class=\"attachment-full size-full\" alt=\"\" loading=\"lazy\" srcset=\"https:\/\/irb.usi.ch\/images\/Computational-Structural-Biology-.jpg 2000w, https:\/\/irb.usi.ch\/images\/Computational-Structural-Biology--300x33.jpg 300w, https:\/\/irb.usi.ch\/images\/Computational-Structural-Biology--1024x113.jpg 1024w, https:\/\/irb.usi.ch\/images\/Computational-Structural-Biology--768x84.jpg 768w, https:\/\/irb.usi.ch\/images\/Computational-Structural-Biology--1536x169.jpg 1536w, https:\/\/irb.usi.ch\/images\/Computational-Structural-Biology--750x83.jpg 750w, https:\/\/irb.usi.ch\/images\/Computational-Structural-Biology--1140x125.jpg 1140w\" sizes=\"(max-width: 2000px) 100vw, 2000px\" \/>\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"has_ae_slider elementor-section elementor-top-section elementor-element elementor-element-6168afe elementor-section-boxed elementor-section-height-default elementor-section-height-default ae-bg-gallery-type-default\" data-id=\"6168afe\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t\t\t<div class=\"elementor-row\">\n\t\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-9b50764 ae-bg-gallery-type-default\" data-id=\"9b50764\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-6b2a2ee elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"6b2a2ee\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-4350d55 elementor-widget elementor-widget-heading\" data-id=\"4350d55\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<p class=\"elementor-heading-title elementor-size-default\">Panoramica<\/p>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-8ebb894 elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"8ebb894\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-59c0592 elementor-widget elementor-widget-text-editor\" data-id=\"59c0592\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-text-editor elementor-clearfix\"><p>La nostra ricerca si concentra sulla comprensione di come sequenza, struttura e dinamica definiscano collettivamente la funzione delle biomolecole. Sfruttando tecniche avanzate come le simulazioni di dinamica molecolare e il machine learning, miriamo a colmare il divario tra strutture a livello molecolare e le loro implicazioni funzionali. Adottando un approccio interdisciplinare, attingiamo a principi e metodi della chimica, della fisica e della genetica per indagare le basi molecolari dei fenomeni biologici.<\/p><p>La nostra ricerca integra senza soluzione di continuit\u00e0 metodi computazionali (<em>in silico<\/em>) con approcci sperimentali (<em>in vitro<\/em> e <em>in vivo<\/em>), favorendo una prospettiva completa che ne aumenta la robustezza e l&#8217;applicabilit\u00e0 dei risultati. Nei prossimi anni, il nostro gruppo dar\u00e0 priorit\u00e0 allo sviluppo e al perfezionamento di metodi per modellare e prevedere con precisione le interazioni antigene-anticorpo.<\/p><p>Questo lavoro approfondir\u00e0 la nostra comprensione delle risposte immunitarie alle infezioni e chiarir\u00e0 i meccanismi alla base delle malattie autoimmuni. Attraverso questi sforzi, miriamo a contribuire alla progettazione di terapie innovative, inclusi vaccini di nuova generazione e trattamenti basati su anticorpi. In parallelo, stiamo ampliando i nostri framework computazionali per affrontare le sfide nella scoperta di farmaci a piccole molecole. Un focus centrale sar\u00e0 identificare e progettare inibitori che modulino l&#8217;omeostasi proteica, un fattore chiave in malattie quali il cancro, l&#8217;amiloidosi e i disturbi neurodegenerativi. Integrando il design di farmaci basato sulla struttura e il machine learning, miriamo ad accelerare la scoperta di piccole molecole con effetti terapeutici precisi.<\/p><p>Questi inibitori non solo offrono promettenti soluzioni per il trattamento di malattie complesse, ma rappresentano anche una finestra sui meccanismi molecolari che guidano la progressione della malattia.<\/p><p>Combinando approcci computazionali innovativi con una rigorosa validazione sperimentale, aspiriamo ad avanzare la biologia strutturale e a tradurre i nostri risultati in applicazioni biomediche di impatto, contribuendo sia all&#8217;innovazione terapeutica che alla comprensione fondamentale della biologia.<\/p><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-f4c7c64 elementor-widget elementor-widget-spacer\" data-id=\"f4c7c64\" data-element_type=\"widget\" data-widget_type=\"spacer.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-spacer\">\n\t\t\t<div class=\"elementor-spacer-inner\"><\/div>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-2b431b0 ae-bg-gallery-type-default\" data-id=\"2b431b0\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-7223cd6 ae-bg-gallery-type-default\" data-id=\"7223cd6\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-cfd750e elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"cfd750e\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-e04487c elementor-widget elementor-widget-heading\" data-id=\"e04487c\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<p class=\"elementor-heading-title elementor-size-default\">Group Leader<\/p>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-b011313 elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"b011313\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-3f5b78d elementor-widget elementor-widget-text-editor\" data-id=\"3f5b78d\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-text-editor elementor-clearfix\"><p><a href=\"https:\/\/irb.usi.ch\/irb-people\/cavalli-andrea\"><strong>Andrea Cavalli<\/strong><\/a><br \/><a href=\"mailto:andrea.cavalli@irb.usi.ch\">andrea.cavalli@irb.usi.ch<\/a><br \/>+41 58 666 7234<\/p><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-b9fa246 elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"b9fa246\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-96e9a42 elementor-widget elementor-widget-text-editor\" data-id=\"96e9a42\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-text-editor elementor-clearfix\"><p><a href=\"https:\/\/irb.usi.ch\/it\/irb-people\/cavalli-andrea\/?id=8928\" target=\"_blank\" rel=\"noopener\"><span style=\"text-decoration: underline;\">Pubblicazioni<\/span><\/a><\/p><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-48178ac elementor-widget elementor-widget-spacer\" data-id=\"48178ac\" data-element_type=\"widget\" data-widget_type=\"spacer.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-spacer\">\n\t\t\t<div class=\"elementor-spacer-inner\"><\/div>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"has_ae_slider elementor-section elementor-top-section elementor-element elementor-element-f6b7cae elementor-section-boxed elementor-section-height-default elementor-section-height-default ae-bg-gallery-type-default\" data-id=\"f6b7cae\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t\t\t<div class=\"elementor-row\">\n\t\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-d37b1f8 ae-bg-gallery-type-default\" data-id=\"d37b1f8\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1636e75 elementor-widget elementor-widget-heading\" data-id=\"1636e75\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<p class=\"elementor-heading-title elementor-size-default\">Ricercatori<\/p>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-174024d elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"174024d\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-fa0c93f elementor-widget elementor-widget-text-editor\" data-id=\"fa0c93f\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-text-editor elementor-clearfix\"><p><span style=\"text-decoration: underline;\"><a href=\"https:\/\/irb.usi.ch\/it\/irb-people\/filippo-cattalani-tognola\/\">Filippo Cattalani Tognola<\/a><br \/><a href=\"https:\/\/irb.usi.ch\/irb-people\/yingyi-chen\/\">Yingyi Chen<\/a><br \/><a href=\"https:\/\/irb.usi.ch\/irb-people\/alberto-furlan\/\">Alberto Furlan<\/a><br \/><a style=\"background-color: #ffffff;\" href=\"https:\/\/irb.usi.ch\/irb-people\/guerra-concetta\/\" target=\"_blank\" rel=\"noopener\">Concetta Guerra<\/a><br \/><a href=\"https:\/\/irb.usi.ch\/irb-people\/elie-francois-jaumin\/\">Elie Fran\u00e7ois Jaumin<\/a><\/span><br \/><span style=\"text-decoration: underline;\"><a style=\"background-color: #ffffff;\" href=\"https:\/\/irb.usi.ch\/irb-people\/locatelli-patrizia\/\" target=\"_blank\" rel=\"noopener\">Patrizia Locatelli<\/a><\/span><br \/><span style=\"text-decoration: underline;\"><a style=\"background-color: #ffffff;\" href=\"https:\/\/irb.usi.ch\/irb-people\/jacopo-sgrignani\/?id=20046\" target=\"_blank\" rel=\"noopener\">Jacopo Sgrignani<\/a><br \/><a href=\"https:\/\/irb.usi.ch\/irb-people\/zoppi-giada\/\">Giada Zoppi<\/a><\/span><\/p><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-f5949c3 elementor-widget elementor-widget-spacer\" data-id=\"f5949c3\" data-element_type=\"widget\" data-widget_type=\"spacer.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-spacer\">\n\t\t\t<div class=\"elementor-spacer-inner\"><\/div>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-b0471b7 ae-bg-gallery-type-default\" data-id=\"b0471b7\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-f02714d ae-bg-gallery-type-default\" data-id=\"f02714d\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-ad23a4e elementor-widget elementor-widget-spacer\" data-id=\"ad23a4e\" data-element_type=\"widget\" data-widget_type=\"spacer.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-spacer\">\n\t\t\t<div class=\"elementor-spacer-inner\"><\/div>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"has_ae_slider elementor-section elementor-top-section elementor-element elementor-element-189601d elementor-section-boxed elementor-section-height-default elementor-section-height-default ae-bg-gallery-type-default\" data-id=\"189601d\" data-element_type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t\t\t<div class=\"elementor-row\">\n\t\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-ca6d947 ae-bg-gallery-type-default\" data-id=\"ca6d947\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e3c735f elementor-widget elementor-widget-heading\" data-id=\"e3c735f\" data-element_type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t<p class=\"elementor-heading-title elementor-size-default\">Progetti<\/p>\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-dd7709d elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"dd7709d\" data-element_type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-9196db5 elementor-widget elementor-widget-accordion\" data-id=\"9196db5\" data-element_type=\"widget\" data-widget_type=\"accordion.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-accordion\" role=\"tablist\">\n\t\t\t\t\t\t\t<div class=\"elementor-accordion-item\">\n\t\t\t\t\t<div id=\"elementor-tab-title-1521\" class=\"elementor-tab-title\" data-tab=\"1\" role=\"tab\" aria-controls=\"elementor-tab-content-1521\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon elementor-accordion-icon-left\" aria-hidden=\"true\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-closed\"><i class=\"fas fa-plus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-opened\"><i class=\"fas fa-minus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"elementor-accordion-title\" href=\"\">Characterisation of toxic oligomer present in Alzheimer\u2019s disease-associated amyloid fibrillation proces<\/a>\n\t\t\t\t\t<\/div>\n\t\t\t\t\t<div id=\"elementor-tab-content-1521\" class=\"elementor-tab-content elementor-clearfix\" data-tab=\"1\" role=\"tabpanel\" aria-labelledby=\"elementor-tab-title-1521\"><p class=\"rtejustify\"><span style=\"font-weight: bolder;\">Researchers<br \/><\/span><span style=\"text-decoration-line: underline;\"><a style=\"background-color: #ffffff;\" href=\"https:\/\/irb.usi.ch\/irb-people\/cavalli-andrea\/?id=8928\" target=\"_blank\" rel=\"noopener\">Andrea Cavalli<\/a><\/span> &#8211; Group Leader<\/p><p><strong>Status: <\/strong>in progress<\/p><p class=\"rtejustify\"><strong>Overview<\/strong><\/p><p class=\"rtejustify\">Alzheimer\u2019s disease (AD) is recognized as the most spread neurodegenerative disease affecting over 30 million people worldwide. The development of the disorder has been linked to the presence of extracellular beta-amyloid (Ab) peptide aggregates of different sizes. Ab oligomeric species formed at early stages of the aggregation process are leading candicates for causing AD. Thus, targeting oligomers can be a very valuable strategy to combat Alzheimer\u2019s disease. However, the molecular mechanism underlying the self-assembly of the different Ab species is not fully understood and it is not clear how the early soluble oligomeric species associate to form protofibrils and, subsequently, mature fibrils.<\/p><p class=\"rtejustify\">The main objective of this project is to apply computational techniques to elucidate small angle X-ray scattering (SAXS) data collected by our collaborators at University of Cambridge (Prof. M. Vendruscolo group) and resolve major coexisting components in Ab fibrillation process.<\/p><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t<div class=\"elementor-accordion-item\">\n\t\t\t\t\t<div id=\"elementor-tab-title-1522\" class=\"elementor-tab-title\" data-tab=\"2\" role=\"tab\" aria-controls=\"elementor-tab-content-1522\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon elementor-accordion-icon-left\" aria-hidden=\"true\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-closed\"><i class=\"fas fa-plus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-opened\"><i class=\"fas fa-minus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"elementor-accordion-title\" href=\"\">Identification of potential determinants of immunoglobulin light chain amyloidosis<\/a>\n\t\t\t\t\t<\/div>\n\t\t\t\t\t<div id=\"elementor-tab-content-1522\" class=\"elementor-tab-content elementor-clearfix\" data-tab=\"2\" role=\"tabpanel\" aria-labelledby=\"elementor-tab-title-1522\"><section class=\"project\"><section class=\"project\"><p class=\"rtejustify\"><span style=\"font-weight: bolder;\">Researchers<br \/><\/span><span style=\"text-decoration-line: underline;\"><a style=\"background-color: #ffffff;\" href=\"https:\/\/irb.usi.ch\/irb-people\/cavalli-andrea\/?id=8928\" target=\"_blank\" rel=\"noopener\">Andrea Cavalli<\/a><\/span> &#8211; Group Leader<\/p><p><strong>Status: <\/strong>in progress<\/p><p class=\"rtejustify\"><strong>Overview<\/strong><\/p><\/section><p class=\"rtejustify\">Light chain amyloidosis is a disorder associated with aggregation of immunoglobulin (Ig) light chains. Ig light chains with different sequences reveal varied amyloidogenic propensities and it is currently not clear which factors drive fibrillation process and, thus, cause pathological conditions.<\/p><p class=\"rtejustify\">In this project, we investigate a repertoire of toxic and non-toxic sequences and perform molecular dynamics simulation for selected light chain models with varied amyloidogenic propensities aiming at the elucidation of molecular determinants of light chain amyloidosis.<\/p><\/section><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t<div class=\"elementor-accordion-item\">\n\t\t\t\t\t<div id=\"elementor-tab-title-1523\" class=\"elementor-tab-title\" data-tab=\"3\" role=\"tab\" aria-controls=\"elementor-tab-content-1523\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon elementor-accordion-icon-left\" aria-hidden=\"true\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-closed\"><i class=\"fas fa-plus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-opened\"><i class=\"fas fa-minus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"elementor-accordion-title\" href=\"\">In silico equilibrium protein folding experiments<\/a>\n\t\t\t\t\t<\/div>\n\t\t\t\t\t<div id=\"elementor-tab-content-1523\" class=\"elementor-tab-content elementor-clearfix\" data-tab=\"3\" role=\"tabpanel\" aria-labelledby=\"elementor-tab-title-1523\"><section class=\"project\"><section class=\"project\"><section class=\"project\"><p class=\"rtejustify\"><span style=\"font-weight: bolder;\">Researchers<br \/><\/span><span style=\"text-decoration-line: underline;\"><a style=\"background-color: #ffffff;\" href=\"https:\/\/irb.usi.ch\/irb-people\/cavalli-andrea\/?id=8928\" target=\"_blank\" rel=\"noopener\">Andrea Cavalli<\/a><\/span> &#8211; Group Leader<\/p><p><strong>Status: <\/strong>in progress<\/p><p class=\"rtejustify\"><strong>Overview<\/strong><\/p><\/section><p class=\"rtejustify\">The process of how proteins reach their native basin of structures is poorly understood and constitutes an important problem in molecular biology. This process is called the protein folding problem, and is generally thought to proceed through large, concerted changes in structure.<\/p><p class=\"rtejustify\">In this project, we are studying the folding of two small proteins: the WW domain of Pin1 and Porcine peptide YY. These studies are carried out using molecular simulation combined with exact nuclear Overhauser enhancement data and\/or chemical shift data obtained at multiple temperatures measured in the groups of collaborators Prof. Riek at the ETH in Z\u00fcrich or Prof. Zerbe University of Z\u00fcrich. Specifically, we are integrating all the experimental data with one simulation to obtain a full, thermodynamic and structural description of the protein folding process.<\/p><\/section><\/section><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t<div class=\"elementor-accordion-item\">\n\t\t\t\t\t<div id=\"elementor-tab-title-1524\" class=\"elementor-tab-title\" data-tab=\"4\" role=\"tab\" aria-controls=\"elementor-tab-content-1524\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon elementor-accordion-icon-left\" aria-hidden=\"true\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-closed\"><i class=\"fas fa-plus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-opened\"><i class=\"fas fa-minus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"elementor-accordion-title\" href=\"\">Molecular characterization of a novel class of STAT3 inhibitors<\/a>\n\t\t\t\t\t<\/div>\n\t\t\t\t\t<div id=\"elementor-tab-content-1524\" class=\"elementor-tab-content elementor-clearfix\" data-tab=\"4\" role=\"tabpanel\" aria-labelledby=\"elementor-tab-title-1524\"><section class=\"project\"><section class=\"project\"><section class=\"project\"><section class=\"project\"><\/section><p class=\"rtejustify\"><span style=\"font-weight: bolder;\">Researchers<br \/><\/span><span style=\"text-decoration: underline;\"><a style=\"background-color: #ffffff;\" href=\"https:\/\/irb.usi.ch\/irb-people\/cavalli-andrea\/?id=8928\" target=\"_blank\" rel=\"noopener\">Andrea Cavalli<\/a><\/span> &#8211; Group Leader<br \/><a href=\"https:\/\/irb.usi.ch\/irb-people\/jacopo-sgrignani\/?id=20046\" target=\"_blank\" rel=\"noopener\"><span style=\"text-decoration: underline;\">Jacopo Sgrignani<\/span><\/a> &#8211; Scientist<\/p><p><strong>Status: <\/strong>in progress<\/p><p class=\"rtejustify\"><strong>Overview<\/strong><\/p><p class=\"rtejustify\">Transcription factors (TFs) are central nodes in multiple oncogenic signalling pathways and represent attractive targets for development of novel cancer treatment strategies. However, very few direct pharmacological inhibitors of transcription factors are currently in the clinical trials. Signal Transducer and Activator of Transcription 3 (STAT3) belongs to the STAT family of transcription factors. As other STAT members, STAT3 is a cytoplasmic protein and is regulated by multiple post-transcriptional modifications (PTM), like phosphorylation, methylation and acetylation.<\/p><p class=\"rtejustify\">Increased expression and activity of STAT3 is very common in human cancers. STAT3 has a central role in critical signalling pathways for tumour initiation and progression. STAT3 drives tumour progression by promoting proliferation, survival, metabolic adaptation, tumour angiogenesis and immune tolerance and its downregulation by genetic or pharmacological means prevents or reverts tumorigenesis.<\/p><p class=\"rtejustify\">Many anticancer drugs inhibit upstream signaling pathways (e.g., JAK, EGFR) and affect STAT3 activation. In addition to these \u201cindirect\u201d inhibitors of the STAT3 pathway (e.g., JAK inhibitors), there is increasing interest in developing \u201cdirect\u201d inhibitors of STAT3 that might interfere with the multiple diverse functions of this TF.<\/p><p class=\"rtejustify\">A number of small molecule compounds as well as natural products have been identified as direct STAT3 inhibitors (STAT3i). \u00a0The aim of this study is to investigate the mechanism of action of a novel class of compounds with STAT3 inhibitory activity. In particular, we will study two compounds that interfere effectively with STAT3 and have potent anticancer activity in various tumor models. Experimental results suggest, that this new class of compounds acts by promoting the formation of large aggregates of STAT3 and that the formation of this aggregates is a direct consequence of conformational changes, disruption of specific inter-domain interactions and partial unfolding of STAT3 induced by STAT3i.<\/p><p class=\"rtejustify\">The objective of this study is the characterization of the mechanism of action of STAT3i at a molecular level. In particular we aim to:<\/p><ul><li class=\"rtejustify\">Investigate the effect of small molecule drug binding on the stability of inter-domain interactions and the mobility of STAT3 domains.<\/li><li class=\"rtejustify\">Investigate the effect of changes in stability and mobility of STAT3 domains on the formation of aggregates and its role in STAT3 inactivation.<\/li><\/ul><\/section><\/section><\/section><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t\t<div class=\"elementor-accordion-item\">\n\t\t\t\t\t<div id=\"elementor-tab-title-1525\" class=\"elementor-tab-title\" data-tab=\"5\" role=\"tab\" aria-controls=\"elementor-tab-content-1525\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon elementor-accordion-icon-left\" aria-hidden=\"true\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-closed\"><i class=\"fas fa-plus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t<span class=\"elementor-accordion-icon-opened\"><i class=\"fas fa-minus\"><\/i><\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/span>\n\t\t\t\t\t\t\t\t\t\t\t\t<a class=\"elementor-accordion-title\" href=\"\">Understanding the molecular details of catalysis in a proline isomerase<\/a>\n\t\t\t\t\t<\/div>\n\t\t\t\t\t<div id=\"elementor-tab-content-1525\" class=\"elementor-tab-content elementor-clearfix\" data-tab=\"5\" role=\"tabpanel\" aria-labelledby=\"elementor-tab-title-1525\"><section class=\"project\"><section class=\"project\"><section class=\"project\"><section class=\"project\"><section class=\"project\"><p class=\"rtejustify\"><span style=\"font-weight: bolder;\">Researchers<br \/><\/span><span style=\"text-decoration-line: underline;\"><a style=\"background-color: #ffffff;\" href=\"https:\/\/irb.usi.ch\/irb-people\/cavalli-andrea\/?id=8928\" target=\"_blank\" rel=\"noopener\">Andrea Cavalli<\/a><\/span> &#8211; Group Leader<\/p><p><strong>Status: <\/strong>in progress<\/p><p class=\"rtejustify\"><strong>Overview<\/strong><\/p><\/section><p class=\"rtejustify\">Cyclophilins are a part of the ubiquitous family of enzymes which catalyses the isomerisation transition between peptidyl and prolyl conformations, which plays a crucial role in the folding of many proteins. However, these enzymes have also been identified as a putative drug-target to treat a number of diseases, including viral infections such as Hepatitis C.<\/p><p class=\"rtejustify\">In this project we wish to understand the molecular details of the catalysis of Cyclophilin A, and in particular also the inhibition of this function. To this end, we are collaborating with the group Prof. Riek at the ETH in Z\u00fcrich to analyse high-resolution exact nuclear Overhauser enhancement data and residual dipolar coupling data on Cyclophilin A in complex with cyclosporin, which is known inhibitor of its function, and in absence of this inhibitor.<\/p><\/section><\/section><\/section><\/section><\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-9358c1b elementor-widget elementor-widget-spacer\" data-id=\"9358c1b\" data-element_type=\"widget\" data-widget_type=\"spacer.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-spacer\">\n\t\t\t<div class=\"elementor-spacer-inner\"><\/div>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-29cca65 ae-bg-gallery-type-default\" data-id=\"29cca65\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"has_ae_slider elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-301af5f ae-bg-gallery-type-default\" data-id=\"301af5f\" data-element_type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-column-wrap elementor-element-populated\">\n\t\t\t\t\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-48ebc53 elementor-widget elementor-widget-spacer\" data-id=\"48ebc53\" data-element_type=\"widget\" data-widget_type=\"spacer.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t<div class=\"elementor-spacer\">\n\t\t\t<div class=\"elementor-spacer-inner\"><\/div>\n\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>Biologia Strutturale Computazionale Panoramica La nostra ricerca si concentra sulla comprensione di come sequenza, struttura e dinamica definiscano collettivamente la funzione delle biomolecole. Sfruttando tecniche avanzate come le simulazioni di dinamica molecolare e il machine learning, miriamo a colmare il divario tra strutture a livello molecolare e le loro implicazioni funzionali. Adottando un approccio interdisciplinare, [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"elementor_header_footer","meta":[],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v15.7 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Biologia Strutturale Computazionale - IRB USI<\/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:\/\/irb.usi.ch\/it\/biologia-strutturale-computazionale\/\" \/>\n<meta property=\"og:locale\" content=\"it_IT\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Biologia Strutturale Computazionale - IRB USI\" \/>\n<meta property=\"og:description\" content=\"Biologia Strutturale Computazionale Panoramica La nostra ricerca si concentra sulla comprensione di come sequenza, struttura e dinamica definiscano collettivamente la funzione delle biomolecole. Sfruttando tecniche avanzate come le simulazioni di dinamica molecolare e il machine learning, miriamo a colmare il divario tra strutture a livello molecolare e le loro implicazioni funzionali. 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