{"id":3807,"date":"2024-07-22T17:02:50","date_gmt":"2024-07-22T15:02:50","guid":{"rendered":"https:\/\/allo3d.4wp.odisean.com\/?page_id=3807"},"modified":"2025-12-02T16:15:16","modified_gmt":"2025-12-02T15:15:16","slug":"katerina-barmpidi-2","status":"publish","type":"page","link":"https:\/\/www.ub.edu\/allo3d\/katerina-barmpidi-2\/","title":{"rendered":"CAROLINA ESTARELLAS"},"content":{"rendered":"\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-hj89wh-c9bbd724c921b89f5c2acca837487828\">\n.avia-section.av-hj89wh-c9bbd724c921b89f5c2acca837487828{\nbackground-repeat:no-repeat;\nbackground-image:url(https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/04\/fondo5network-1500x430.png);\nbackground-position:50% 50%;\nbackground-attachment:scroll;\n}\n.avia-section.av-hj89wh-c9bbd724c921b89f5c2acca837487828 .av-section-color-overlay{\nopacity:0.5;\nbackground-color:#0a0a0a;\n}\n<\/style>\n<div id='av_section_1'  class='avia-section 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class='avia-image-container av-lyx0192a-24b7d13f76a50667e1bea17d328e4a25 av-styling-no-styling avia-align-center  avia-builder-el-5  avia-builder-el-no-sibling '   itemprop=\"image\" itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/ImageObject\" ><div class=\"avia-image-container-inner\"><div class=\"avia-image-overlay-wrap\"><img decoding=\"async\" fetchpriority=\"high\" class='wp-image-3174 avia-img-lazy-loading-not-3174 avia_image ' src=\"https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/03\/image_123655411-1-e1718661083277.jpg\" alt='' title='image_123655411 (1)'  height=\"837\" width=\"517\"  itemprop=\"thumbnailUrl\" srcset=\"https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/03\/image_123655411-1-e1718661083277.jpg 517w, https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/03\/image_123655411-1-e1718661083277-185x300.jpg 185w, https:\/\/www.ub.edu\/allo3d\/wp-content\/uploads\/2024\/03\/image_123655411-1-e1718661083277-435x705.jpg 435w\" sizes=\"(max-width: 517px) 100vw, 517px\" \/><\/div><\/div><\/div><\/div><div class='av-flex-placeholder'><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lywzu6bm-10148c077526bcc1fe028ef69c53f37a\">\n.flex_column.av-lywzu6bm-10148c077526bcc1fe028ef69c53f37a{\nwidth:59.6%;\nmargin-left:0;\npadding:30px 30px 30px 30px;\nbackground-color:#41648a;\n}\n#top .flex_column_table.av-equal-height-column-flextable.av-lywzu6bm-10148c077526bcc1fe028ef69c53f37a .av-flex-placeholder{\nwidth:1%;\n}\n<\/style>\n<div  class='flex_column av-lywzu6bm-10148c077526bcc1fe028ef69c53f37a av_three_fifth  avia-builder-el-6  el_after_av_two_fifth  avia-builder-el-last  av-break-at-tablet flex_column_table_cell av-equal-height-column av-align-middle  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lywzmf3z-f646d76501801a05800651ae1cbc7466\">\n#top .av-special-heading.av-lywzmf3z-f646d76501801a05800651ae1cbc7466{\npadding-bottom:10px;\ncolor:#ffffff;\n}\nbody .av-special-heading.av-lywzmf3z-f646d76501801a05800651ae1cbc7466 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lywzmf3z-f646d76501801a05800651ae1cbc7466 .special-heading-inner-border{\nborder-color:#ffffff;\n}\n.av-special-heading.av-lywzmf3z-f646d76501801a05800651ae1cbc7466 .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lywzmf3z-f646d76501801a05800651ae1cbc7466 av-special-heading-h2 custom-color-heading blockquote modern-quote  avia-builder-el-7  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >CAROLINA ESTARELLAS<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lywznwnj-f581e8fc482d779257992ef575f6e678\">\n#top .av_textblock_section.av-lywznwnj-f581e8fc482d779257992ef575f6e678 .avia_textblock{\ncolor:#ffffff;\n}\n<\/style>\n<section  class='av_textblock_section av-lywznwnj-f581e8fc482d779257992ef575f6e678 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock av_inherit_color'  itemprop=\"text\" ><p>I am Associate Professor at the University of Barcelona (UB). Previously, I carried out my PhD in Chemical Science and Technology at the University of Balearic Islands, studying the cooperativity effects between different noncovalent interactions, particularly anion-pi interactions, by means of computational and experimental studies. In 2012, I joined the group of Prof. J. Sponer (U. Masaryk at Czech Republic), starting my post-doctoral period. I gained in-depth knowledge in MD simulations to study protein-RNA systems. In 2013, I joined the group of Prof. Luque (UB) as Juan de la Cierva researcher. I reinforced my background on MD simulations studying protein-ligand complexes. I also applied my QM background in the study of multicomponent chemical reactions. In 2018, I joined Prof. Gervasio\u2019s group, first as a Marie Curie fellow at UCL (London, UK), and then as <i>Suppl\u00e9ante<\/i>\u00a0<i>collaboratrice<\/i>\u00a0<i>scientifique<\/i><i>\u00a0II<\/i> in the U. Geneva, where I developed novel metadynamics methods and studied cryptic pockets in proteins. In 2021, I joined the University of Barcelona as Lecturer Professor, where I started to develop my current research lines.<\/p>\n<p>My current research is focused on the understanding of structure-activity relationships (SAR) and how the conformational dynamics of the biomacromolecular systems affect this SAR by using computational methods. Our targets are mainly related to cardiometabolic diseases where the folding and aggregation processes, allosteric network communication and reactivity mechanisms are key components of our projects.<\/p>\n<p>Additionally, I actively participate in outcome activities like the Science Days, Teaching Room, and Open Doors days, and I have collaborated in know-how transfer projects with Repsol YPF to predict molecules that could potentiate fuels. From July 2022 I am scientific advisor of Pharmacelera, a company devoted to developing computational software for early stages of Drug Discovery pipelines.<\/p>\n<p>Since Feb 2021, I am coordinator of courses in Physics and Physicochemistry, Bioinformatics and Molecular Modeling and Separation and Identification Techniques at UB. I am also teaching Drug Design subjects in the Masters of Biomedicine (UB) and Chemical Innovation and Regulation Erasmus Mundus Master.<\/p>\n<\/div><\/section><\/p><\/div><\/div><!--close column table wrapper. Autoclose: 1 --><\/div><\/div><\/div><!-- close content main div --><\/div><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-12l6mp-e5d22a31ff48d1df3ea8e1ae45420209\">\n.avia-section.av-12l6mp-e5d22a31ff48d1df3ea8e1ae45420209{\nbackground-color:#f8f8f8;\nbackground-image:unset;\n}\n<\/style>\n<div id='av_section_4'  class='avia-section av-12l6mp-e5d22a31ff48d1df3ea8e1ae45420209 main_color avia-section-default avia-no-border-styling  avia-builder-el-9  el_after_av_section  avia-builder-el-last  avia-bg-style-scroll container_wrap sidebar_right'  ><div class='container av-section-cont-open' ><div class='template-page content  av-content-small alpha units'><div class='post-entry post-entry-type-page post-entry-3807'><div class='entry-content-wrapper clearfix'>\n<div class='flex_column_table av-8reoch-9acaed7d2ca414593d1973d00e697081 sc-av_one_full av-equal-height-column-flextable'>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-8reoch-9acaed7d2ca414593d1973d00e697081\">\n.flex_column.av-8reoch-9acaed7d2ca414593d1973d00e697081{\nborder-radius:0px 0px 0px 0px;\npadding:27px 27px 27px 27px;\n}\n<\/style>\n<div  class='flex_column av-8reoch-9acaed7d2ca414593d1973d00e697081 av_one_full  avia-builder-el-10  avia-builder-el-no-sibling  first flex_column_table_cell av-equal-height-column av-align-middle  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a\">\n#top .av-special-heading.av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a{\npadding-bottom:0;\ncolor:#232d5a;\nfont-size:40px;\n}\nbody .av-special-heading.av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n#top #wrap_all .av-special-heading.av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a .av-special-heading-tag{\nfont-size:40px;\n}\n.av-special-heading.av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a .special-heading-inner-border{\nborder-color:#232d5a;\n}\n.av-special-heading.av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a .av-subheading{\nfont-size:15px;\n}\n\n@media only screen and (min-width: 480px) and (max-width: 767px){ \n#top #wrap_all .av-special-heading.av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n\n@media only screen and (max-width: 479px){ \n#top #wrap_all .av-special-heading.av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a .av-special-heading-tag{\nfont-size:0.8em;\n}\n}\n<\/style>\n<div  class='av-special-heading av-lywzoky5-2893c5c3d634112cdbf615eb4ba6648a av-special-heading-h2 custom-color-heading blockquote modern-quote  avia-builder-el-11  el_before_av_hr  avia-builder-el-first  av-inherit-size'><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Studies<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-pcxkh-351c899ffd042ab03a45ef09754ca4d9\">\n#top .hr.av-pcxkh-351c899ffd042ab03a45ef09754ca4d9{\nmargin-top:10px;\nmargin-bottom:10px;\n}\n.hr.av-pcxkh-351c899ffd042ab03a45ef09754ca4d9 .hr-inner{\nwidth:50px;\nborder-color:#232d5a;\n}\n<\/style>\n<div  class='hr av-pcxkh-351c899ffd042ab03a45ef09754ca4d9 hr-custom  avia-builder-el-12  el_after_av_heading  el_before_av_textblock  hr-left hr-icon-no'><span class='hr-inner inner-border-av-border-fat'><span class=\"hr-inner-style\"><\/span><\/span><\/div><br \/>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lywzqu6j-758c8cdde4445cd19e0ac179f54f6f1b\">\n#top .av_textblock_section.av-lywzqu6j-758c8cdde4445cd19e0ac179f54f6f1b .avia_textblock{\ncolor:#232d5a;\n}\n<\/style>\n<section  class='av_textblock_section av-lywzqu6j-758c8cdde4445cd19e0ac179f54f6f1b '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock av_inherit_color'  itemprop=\"text\" ><h3>PhD in Chemical Science and Technology<\/h3>\n<p>University of Balearic Islands (UIB)<\/p>\n<p>2009-2012<\/p>\n<h3>Master in Chemical Science and Technology<\/h3>\n<p>University of Balearic Islands (UIB)<\/p>\n<p>2008-2009<\/p>\n<h3>Bachelor in Chemistry<\/h3>\n<p>University of Balearic Islands (UIB)<\/p>\n<p>2003-2008<\/p>\n<\/div><\/section><\/p><\/div><\/div><!--close column table wrapper. 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