{"id":6133,"date":"2023-03-27T11:01:57","date_gmt":"2023-03-27T09:01:57","guid":{"rendered":"https:\/\/www.iadchem.uam.es\/?p=6133"},"modified":"2023-03-27T11:08:37","modified_gmt":"2023-03-27T09:08:37","slug":"computational-modelling-of-biological-processes","status":"publish","type":"post","link":"https:\/\/www.iadchem.uam.es\/?p=6133","title":{"rendered":"Computational Modelling of Biological Processes"},"content":{"rendered":"<p style=\"text-align: center;\"><a href=\"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg\"><img fetchpriority=\"high\" decoding=\"async\" class=\"alignnone size-full wp-image-6134\" src=\"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg\" alt=\"\" width=\"840\" height=\"450\" srcset=\"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg 840w, https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1-300x161.jpg 300w, https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1-768x411.jpg 768w\" sizes=\"(max-width: 840px) 100vw, 840px\" \/><\/a><\/p>\n<p style=\"text-align: justify;\"><strong>Title:<\/strong> Computational Modelling of Biological Processes.<br \/>\n<strong>When:<\/strong> 15:00 CET, Wednesday, March 29<sup>th<\/sup>, 2023.<br \/>\n<strong>Place:<\/strong> Sala de Conferencias, Module 0, Faculty of Sciences, Autonomous University of Madrid (UAM).<br \/>\n<strong>Speaker:<\/strong> Dr. Juan Jos\u00e9 Nogueira, Tallent Fellow of the Community of Madrid at the Chemistry Department (UAM-IAdChem).<\/p>\n<p style=\"text-align: justify;\"><span class=\"dropcap\">T<\/span>he simulation of biological processes is a complex task which requires the combination of different quantum and classical mechanical techniques. Moreover, these hybrid calculations are often performed within a dynamic framework to account for vibrational and conformational sampling. In the case where the process under investigation takes place on a long-time scale, the application of efficient sampling approaches may also be needed. In this contribution, the application of many of these methods will be illustrated by discussing the mechanisms of some biological events recently investigated by our research group, including the permeation of small molecules through lipid bilayers and the binding of drugs to proteins and DNA strands.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Title: Computational Modelling of Biological Processes. When: 15:00 CET, Wednesday, March 29th, 2023. Place: Sala de Conferencias, Module 0, Faculty of Sciences, Autonomous University of Madrid (UAM). Speaker: Dr. Juan Jos\u00e9 Nogueira, Tallent Fellow of the Community of Madrid at the Chemistry Department (UAM-IAdChem). The simulation of biological processes is a complex task which requires&hellip;<\/p>\n","protected":false},"author":3,"featured_media":6134,"comment_status":"closed","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[70],"tags":[196,195],"class_list":["post-6133","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-lectures","tag-biological-processes","tag-computational-modellling","entry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v28.7 - https:\/\/yoast.com\/product\/yoast-seo-wordpress\/ -->\n<title>Computational Modelling of Biological Processes - IAdChem - Institute for Advanced Research in Chemical Sciences<\/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.iadchem.uam.es\/?p=6133\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"Computational Modelling of Biological Processes - IAdChem - Institute for Advanced Research in Chemical Sciences\" \/>\n<meta property=\"og:description\" content=\"Title: Computational Modelling of Biological Processes. When: 15:00 CET, Wednesday, March 29th, 2023. Place: Sala de Conferencias, Module 0, Faculty of Sciences, Autonomous University of Madrid (UAM). Speaker: Dr. Juan Jos\u00e9 Nogueira, Tallent Fellow of the Community of Madrid at the Chemistry Department (UAM-IAdChem). The simulation of biological processes is a complex task which requires&hellip;\" \/>\n<meta property=\"og:url\" content=\"https:\/\/www.iadchem.uam.es\/?p=6133\" \/>\n<meta property=\"og:site_name\" content=\"IAdChem - Institute for Advanced Research in Chemical Sciences\" \/>\n<meta property=\"article:published_time\" content=\"2023-03-27T09:01:57+00:00\" \/>\n<meta property=\"article:modified_time\" content=\"2023-03-27T09:08:37+00:00\" \/>\n<meta property=\"og:image\" content=\"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg\" \/>\n\t<meta property=\"og:image:width\" content=\"840\" \/>\n\t<meta property=\"og:image:height\" content=\"450\" \/>\n\t<meta property=\"og:image:type\" content=\"image\/jpeg\" \/>\n<meta name=\"author\" content=\"IADCHEM Editor\" \/>\n<meta name=\"twitter:card\" content=\"summary_large_image\" \/>\n<meta name=\"twitter:label1\" content=\"Written by\" \/>\n\t<meta name=\"twitter:data1\" content=\"IADCHEM Editor\" \/>\n\t<meta name=\"twitter:label2\" content=\"Est. reading time\" \/>\n\t<meta name=\"twitter:data2\" content=\"1 minute\" \/>\n<script type=\"application\/ld+json\" class=\"yoast-schema-graph\">{\"@context\":\"https:\\\/\\\/schema.org\",\"@graph\":[{\"@type\":\"Article\",\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133#article\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133\"},\"author\":{\"name\":\"IADCHEM Editor\",\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/#\\\/schema\\\/person\\\/acff178c6fdfa63f2a2f3082da68abf2\"},\"headline\":\"Computational Modelling of Biological Processes\",\"datePublished\":\"2023-03-27T09:01:57+00:00\",\"dateModified\":\"2023-03-27T09:08:37+00:00\",\"mainEntityOfPage\":{\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133\"},\"wordCount\":154,\"image\":{\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133#primaryimage\"},\"thumbnailUrl\":\"https:\\\/\\\/www.iadchem.uam.es\\\/wp-content\\\/uploads\\\/2023\\\/03\\\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg\",\"keywords\":[\"Biological Processes\",\"Computational Modellling\"],\"articleSection\":[\"Lectures\"],\"inLanguage\":\"en-US\"},{\"@type\":\"WebPage\",\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133\",\"url\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133\",\"name\":\"Computational Modelling of Biological Processes - IAdChem - Institute for Advanced Research in Chemical Sciences\",\"isPartOf\":{\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/#website\"},\"primaryImageOfPage\":{\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133#primaryimage\"},\"image\":{\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133#primaryimage\"},\"thumbnailUrl\":\"https:\\\/\\\/www.iadchem.uam.es\\\/wp-content\\\/uploads\\\/2023\\\/03\\\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg\",\"datePublished\":\"2023-03-27T09:01:57+00:00\",\"dateModified\":\"2023-03-27T09:08:37+00:00\",\"author\":{\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/#\\\/schema\\\/person\\\/acff178c6fdfa63f2a2f3082da68abf2\"},\"inLanguage\":\"en-US\",\"potentialAction\":[{\"@type\":\"ReadAction\",\"target\":[\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133\"]}]},{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?p=6133#primaryimage\",\"url\":\"https:\\\/\\\/www.iadchem.uam.es\\\/wp-content\\\/uploads\\\/2023\\\/03\\\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg\",\"contentUrl\":\"https:\\\/\\\/www.iadchem.uam.es\\\/wp-content\\\/uploads\\\/2023\\\/03\\\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg\",\"width\":840,\"height\":450},{\"@type\":\"WebSite\",\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/#website\",\"url\":\"https:\\\/\\\/www.iadchem.uam.es\\\/\",\"name\":\"IAdChem - Institute for Advanced Research in Chemical Sciences\",\"description\":\"Universidad Aut\u00f3noma de Madrid\",\"potentialAction\":[{\"@type\":\"SearchAction\",\"target\":{\"@type\":\"EntryPoint\",\"urlTemplate\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?s={search_term_string}\"},\"query-input\":{\"@type\":\"PropertyValueSpecification\",\"valueRequired\":true,\"valueName\":\"search_term_string\"}}],\"inLanguage\":\"en-US\"},{\"@type\":\"Person\",\"@id\":\"https:\\\/\\\/www.iadchem.uam.es\\\/#\\\/schema\\\/person\\\/acff178c6fdfa63f2a2f3082da68abf2\",\"name\":\"IADCHEM Editor\",\"image\":{\"@type\":\"ImageObject\",\"inLanguage\":\"en-US\",\"@id\":\"https:\\\/\\\/secure.gravatar.com\\\/avatar\\\/0b9adf7c5eddb627012e3d6d2c66c5a0f9d9ebc54965abb348bd4076568d39f5?s=96&r=g\",\"url\":\"https:\\\/\\\/secure.gravatar.com\\\/avatar\\\/0b9adf7c5eddb627012e3d6d2c66c5a0f9d9ebc54965abb348bd4076568d39f5?s=96&r=g\",\"contentUrl\":\"https:\\\/\\\/secure.gravatar.com\\\/avatar\\\/0b9adf7c5eddb627012e3d6d2c66c5a0f9d9ebc54965abb348bd4076568d39f5?s=96&r=g\",\"caption\":\"IADCHEM Editor\"},\"url\":\"https:\\\/\\\/www.iadchem.uam.es\\\/?author=3\"}]}<\/script>\n<!-- \/ Yoast SEO plugin. -->","yoast_head_json":{"title":"Computational Modelling of Biological Processes - IAdChem - Institute for Advanced Research in Chemical Sciences","robots":{"index":"index","follow":"follow","max-snippet":"max-snippet:-1","max-image-preview":"max-image-preview:large","max-video-preview":"max-video-preview:-1"},"canonical":"https:\/\/www.iadchem.uam.es\/?p=6133","og_locale":"en_US","og_type":"article","og_title":"Computational Modelling of Biological Processes - IAdChem - Institute for Advanced Research in Chemical Sciences","og_description":"Title: Computational Modelling of Biological Processes. When: 15:00 CET, Wednesday, March 29th, 2023. Place: Sala de Conferencias, Module 0, Faculty of Sciences, Autonomous University of Madrid (UAM). Speaker: Dr. Juan Jos\u00e9 Nogueira, Tallent Fellow of the Community of Madrid at the Chemistry Department (UAM-IAdChem). The simulation of biological processes is a complex task which requires&hellip;","og_url":"https:\/\/www.iadchem.uam.es\/?p=6133","og_site_name":"IAdChem - Institute for Advanced Research in Chemical Sciences","article_published_time":"2023-03-27T09:01:57+00:00","article_modified_time":"2023-03-27T09:08:37+00:00","og_image":[{"width":840,"height":450,"url":"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg","type":"image\/jpeg"}],"author":"IADCHEM Editor","twitter_card":"summary_large_image","twitter_misc":{"Written by":"IADCHEM Editor","Est. reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"Article","@id":"https:\/\/www.iadchem.uam.es\/?p=6133#article","isPartOf":{"@id":"https:\/\/www.iadchem.uam.es\/?p=6133"},"author":{"name":"IADCHEM Editor","@id":"https:\/\/www.iadchem.uam.es\/#\/schema\/person\/acff178c6fdfa63f2a2f3082da68abf2"},"headline":"Computational Modelling of Biological Processes","datePublished":"2023-03-27T09:01:57+00:00","dateModified":"2023-03-27T09:08:37+00:00","mainEntityOfPage":{"@id":"https:\/\/www.iadchem.uam.es\/?p=6133"},"wordCount":154,"image":{"@id":"https:\/\/www.iadchem.uam.es\/?p=6133#primaryimage"},"thumbnailUrl":"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg","keywords":["Biological Processes","Computational Modellling"],"articleSection":["Lectures"],"inLanguage":"en-US"},{"@type":"WebPage","@id":"https:\/\/www.iadchem.uam.es\/?p=6133","url":"https:\/\/www.iadchem.uam.es\/?p=6133","name":"Computational Modelling of Biological Processes - IAdChem - Institute for Advanced Research in Chemical Sciences","isPartOf":{"@id":"https:\/\/www.iadchem.uam.es\/#website"},"primaryImageOfPage":{"@id":"https:\/\/www.iadchem.uam.es\/?p=6133#primaryimage"},"image":{"@id":"https:\/\/www.iadchem.uam.es\/?p=6133#primaryimage"},"thumbnailUrl":"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg","datePublished":"2023-03-27T09:01:57+00:00","dateModified":"2023-03-27T09:08:37+00:00","author":{"@id":"https:\/\/www.iadchem.uam.es\/#\/schema\/person\/acff178c6fdfa63f2a2f3082da68abf2"},"inLanguage":"en-US","potentialAction":[{"@type":"ReadAction","target":["https:\/\/www.iadchem.uam.es\/?p=6133"]}]},{"@type":"ImageObject","inLanguage":"en-US","@id":"https:\/\/www.iadchem.uam.es\/?p=6133#primaryimage","url":"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg","contentUrl":"https:\/\/www.iadchem.uam.es\/wp-content\/uploads\/2023\/03\/Seminario-Juan-Jose-Nogueira-840x450-1.jpg","width":840,"height":450},{"@type":"WebSite","@id":"https:\/\/www.iadchem.uam.es\/#website","url":"https:\/\/www.iadchem.uam.es\/","name":"IAdChem - Institute for Advanced Research in Chemical Sciences","description":"Universidad Aut\u00f3noma de Madrid","potentialAction":[{"@type":"SearchAction","target":{"@type":"EntryPoint","urlTemplate":"https:\/\/www.iadchem.uam.es\/?s={search_term_string}"},"query-input":{"@type":"PropertyValueSpecification","valueRequired":true,"valueName":"search_term_string"}}],"inLanguage":"en-US"},{"@type":"Person","@id":"https:\/\/www.iadchem.uam.es\/#\/schema\/person\/acff178c6fdfa63f2a2f3082da68abf2","name":"IADCHEM Editor","image":{"@type":"ImageObject","inLanguage":"en-US","@id":"https:\/\/secure.gravatar.com\/avatar\/0b9adf7c5eddb627012e3d6d2c66c5a0f9d9ebc54965abb348bd4076568d39f5?s=96&r=g","url":"https:\/\/secure.gravatar.com\/avatar\/0b9adf7c5eddb627012e3d6d2c66c5a0f9d9ebc54965abb348bd4076568d39f5?s=96&r=g","contentUrl":"https:\/\/secure.gravatar.com\/avatar\/0b9adf7c5eddb627012e3d6d2c66c5a0f9d9ebc54965abb348bd4076568d39f5?s=96&r=g","caption":"IADCHEM Editor"},"url":"https:\/\/www.iadchem.uam.es\/?author=3"}]}},"_links":{"self":[{"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=\/wp\/v2\/posts\/6133","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=\/wp\/v2\/users\/3"}],"replies":[{"embeddable":true,"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=6133"}],"version-history":[{"count":4,"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=\/wp\/v2\/posts\/6133\/revisions"}],"predecessor-version":[{"id":6141,"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=\/wp\/v2\/posts\/6133\/revisions\/6141"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=\/wp\/v2\/media\/6134"}],"wp:attachment":[{"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=6133"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=6133"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.iadchem.uam.es\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=6133"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}