{"id":3426,"date":"2024-03-25T17:50:31","date_gmt":"2024-03-25T16:50:31","guid":{"rendered":"https:\/\/allo3d.4wp.odisean.com\/?page_id=3426"},"modified":"2024-11-28T11:06:38","modified_gmt":"2024-11-28T10:06:38","slug":"publications","status":"publish","type":"page","link":"https:\/\/www.ub.edu\/allo3d\/publications\/","title":{"rendered":"Publications"},"content":{"rendered":"\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lu77r3vq-84260a510ed6cd6c5bb08125dd87f4a2\">\n.avia-section.av-lu77r3vq-84260a510ed6cd6c5bb08125dd87f4a2{\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-lu77r3vq-84260a510ed6cd6c5bb08125dd87f4a2 .av-section-color-overlay{\nopacity:0.5;\nbackground-color:#0a0a0a;\n}\n<\/style>\n<div id='av_section_1'  class='avia-section av-lu77r3vq-84260a510ed6cd6c5bb08125dd87f4a2 main_color avia-section-default avia-no-border-styling  avia-builder-el-0  el_before_av_section  avia-builder-el-first  avia-full-stretch avia-bg-style-scroll av-section-color-overlay-active container_wrap sidebar_right'  data-section-bg-repeat='stretch'><div class=\"av-section-color-overlay-wrap\"><div class=\"av-section-color-overlay\"><\/div><div class='container av-section-cont-open' ><main  role=\"main\" itemprop=\"mainContentOfPage\"  class='template-page content  av-content-small alpha units'><div class='post-entry post-entry-type-page post-entry-3426'><div class='entry-content-wrapper clearfix'>\n\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lu76n3yg-83bc9f635a4f475bf4885f3ac76f55c4\">\n#top .av-special-heading.av-lu76n3yg-83bc9f635a4f475bf4885f3ac76f55c4{\npadding-bottom:10px;\ncolor:#ffffff;\n}\nbody .av-special-heading.av-lu76n3yg-83bc9f635a4f475bf4885f3ac76f55c4 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lu76n3yg-83bc9f635a4f475bf4885f3ac76f55c4 .special-heading-inner-border{\nborder-color:#ffffff;\n}\n.av-special-heading.av-lu76n3yg-83bc9f635a4f475bf4885f3ac76f55c4 .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lu76n3yg-83bc9f635a4f475bf4885f3ac76f55c4 av-special-heading-h1 custom-color-heading blockquote modern-quote  avia-builder-el-1  avia-builder-el-no-sibling '><h1 class='av-special-heading-tag '  itemprop=\"headline\"  >Publications<\/h1><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div>\n\n<\/div><\/div><\/main><!-- close content main element --><\/div><\/div><\/div><div id='av_section_2'  class='avia-section av-lu76v9kc-b4c89456d201265e68e90747ef1eeb2e main_color avia-section-small avia-no-border-styling  avia-builder-el-2  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-3426'><div class='entry-content-wrapper clearfix'>\n<div  class='flex_column av-wvv11u-941562a92ea45aa921e76e73b39ce5dd av_one_full  avia-builder-el-3  el_before_av_hr  avia-builder-el-first  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lu77xrcd-606ae7aa9e74d502e75b14a6ac246357\">\n#top .av-special-heading.av-lu77xrcd-606ae7aa9e74d502e75b14a6ac246357{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lu77xrcd-606ae7aa9e74d502e75b14a6ac246357 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lu77xrcd-606ae7aa9e74d502e75b14a6ac246357 .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lu77xrcd-606ae7aa9e74d502e75b14a6ac246357 av-special-heading-h2 blockquote modern-quote  avia-builder-el-4  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Structural and dynamic characterization of the hexa-coordinated globin from Spisula solidissima<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lu76orum-09356ce07a1ad12f5136435b0068783b '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>JOURNAL OF INORGANIC BIOCHEMISTRY. 2023<br \/>\nArt. 112289<br \/>\nDOI 10.1016\/j.jinorgbio.2023.112289<\/p>\n<p>Pesce, A.; Barmpidi, K.; Dewilde, S.; Estarellas, C.; Moens, L.; Bolognesi, M.; Luque, F.J.; Nardini, M.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-lu78305c-cf835746f2d6da1d02dc453300ec3342-wrap avia-button-left  avia-builder-el-6  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/www.sciencedirect.com\/science\/article\/pii\/S016201342300171X' class='avia-button av-lu78305c-cf835746f2d6da1d02dc453300ec3342 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lu76pwfr-27e103e5d75809cefe5f47636f7878dc\">\n#top .hr.av-lu76pwfr-27e103e5d75809cefe5f47636f7878dc{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-lu76pwfr-27e103e5d75809cefe5f47636f7878dc .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-lu76pwfr-27e103e5d75809cefe5f47636f7878dc hr-custom  avia-builder-el-7  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-sprfqa-9fc385678caacbd0008b8a532de769e6 av_one_full  avia-builder-el-8  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lu77xwkj-94498520fabbcb24cc147e213b15394e\">\n#top .av-special-heading.av-lu77xwkj-94498520fabbcb24cc147e213b15394e{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lu77xwkj-94498520fabbcb24cc147e213b15394e .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lu77xwkj-94498520fabbcb24cc147e213b15394e .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lu77xwkj-94498520fabbcb24cc147e213b15394e av-special-heading-h2 blockquote modern-quote  avia-builder-el-9  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Revealing druggable cryptic pockets in the Nsp1 of SARS-CoV-2 and other \u03b2-coronaviruses by simulations and crystallography<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjjnf9k-f5441705da0370a965bdae6ac3230f2b '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>ELIFE. 2022 Volume 11<br \/>\nArt. e81167<br \/>\nDOI 10.7554\/eLife.81167<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-lgw5b6-d288efd30490ecb0ddb697db560a0d13-wrap avia-button-left  avia-builder-el-11  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/www.sciencedirect.com\/science\/article\/pii\/S016201342300171X' class='avia-button av-lgw5b6-d288efd30490ecb0ddb697db560a0d13 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-czlpg2-4424c541a8a2ec67bf411e1998a5a0b3\">\n#top .hr.av-czlpg2-4424c541a8a2ec67bf411e1998a5a0b3{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-czlpg2-4424c541a8a2ec67bf411e1998a5a0b3 .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-czlpg2-4424c541a8a2ec67bf411e1998a5a0b3 hr-custom  avia-builder-el-12  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-dfwc9u-06873b586bd289ddf43fdce322173f41 av_one_full  avia-builder-el-13  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjjxy9k-0cb2a365ae8a4534431a57530b3f9aef\">\n#top .av-special-heading.av-lxjjxy9k-0cb2a365ae8a4534431a57530b3f9aef{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjjxy9k-0cb2a365ae8a4534431a57530b3f9aef .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjjxy9k-0cb2a365ae8a4534431a57530b3f9aef .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjjxy9k-0cb2a365ae8a4534431a57530b3f9aef av-special-heading-h2 blockquote modern-quote  avia-builder-el-14  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Novel indolic AMPK modulators induce vasodilatation through activation of the AMPK-eNOS-NO pathway<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjjz81l-b8d90b5d6ad78daef301dbc6a528de24 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>SCIENTIFIC REPORTS. 2022 Volume 12<br \/>\nArt. 4225<br \/>\nDOI 10.1038\/s41598-022-07077-8<\/p>\n<p>Sanz-Gomez, M.; Aledavood, E.; Beroiz-Salaverri, M.; Lagartera, L.; Vega-Martin, E.; Gil-Ortega, M.; Cumella, J.; Perez, C.; Luque, F.J.; Estarellas, C.; Fernandez-Alfonso, M.S.; Castro, A.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-jhn7ci-26d4a31d699f52fc327a8d3f491a64d9-wrap avia-button-left  avia-builder-el-16  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/www.nature.com\/articles\/s41598-022-07077-8' class='avia-button av-jhn7ci-26d4a31d699f52fc327a8d3f491a64d9 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-npl0xe-a34123cf228cbacbdcbb95210b6a9e34\">\n#top .hr.av-npl0xe-a34123cf228cbacbdcbb95210b6a9e34{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-npl0xe-a34123cf228cbacbdcbb95210b6a9e34 .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-npl0xe-a34123cf228cbacbdcbb95210b6a9e34 hr-custom  avia-builder-el-17  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-af3l6q-bb2db44da9ec1f17c2d09c6d3f3cab19 av_one_full  avia-builder-el-18  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjk02pa-d14e4b80619eadd82ad678287c54e12a\">\n#top .av-special-heading.av-lxjk02pa-d14e4b80619eadd82ad678287c54e12a{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjk02pa-d14e4b80619eadd82ad678287c54e12a .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjk02pa-d14e4b80619eadd82ad678287c54e12a .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjk02pa-d14e4b80619eadd82ad678287c54e12a av-special-heading-h2 blockquote modern-quote  avia-builder-el-19  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >From Acid Activation Mechanisms of Proton Conduction to Design of Inhibitors of the M2 Proton Channel of Influenza A Virus<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjk16k5-9992feb4f8a5208b42f79f049ba924cb '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>FRONTIERS IN MOLECULAR BIOSCIENCES. 2022 Volume 8<br \/>\nArt. 796229<br \/>\nDOI 10.3389\/fmolb.2021.796229<\/p>\n<p>Aledavood, E.; Selmi, B.; Estarellas, C.; Masetti, M.; Luque, F.J.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-h5r87m-728335d8d68edd5d16758f5180dac388-wrap avia-button-left  avia-builder-el-21  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/www.frontiersin.org\/journals\/molecular-biosciences\/articles\/10.3389\/fmolb.2021.796229\/full' class='avia-button av-h5r87m-728335d8d68edd5d16758f5180dac388 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-9rd1aq-4941711bf38889ac013ab7ddfa6fee6d\">\n#top .hr.av-9rd1aq-4941711bf38889ac013ab7ddfa6fee6d{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-9rd1aq-4941711bf38889ac013ab7ddfa6fee6d .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-9rd1aq-4941711bf38889ac013ab7ddfa6fee6d hr-custom  avia-builder-el-22  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-rxawy-05b345b37452723f9244caaca723b6d2 av_one_full  avia-builder-el-23  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjk1mth-1221b0fd5d6f3f2e4f3c4ce36a648be9\">\n#top .av-special-heading.av-lxjk1mth-1221b0fd5d6f3f2e4f3c4ce36a648be9{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjk1mth-1221b0fd5d6f3f2e4f3c4ce36a648be9 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjk1mth-1221b0fd5d6f3f2e4f3c4ce36a648be9 .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjk1mth-1221b0fd5d6f3f2e4f3c4ce36a648be9 av-special-heading-h2 blockquote modern-quote  avia-builder-el-24  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Elucidating the Activation Mechanism of AMPK by Direct Pan-Activator PF-739<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjk2iuq-f9ad3127dc6ac881d88da3ec3f6a6528 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>FRONTIERS IN MOLECULAR BIOSCIENCES. 2021 Volume 8<br \/>\nArt. 760026<br \/>\nDOI 10.3389\/fmolb.2021.760026<\/p>\n<p>Aledavood, E.; Gheeraert, A.; Forte, A.; Vuillon, L.; Rivalta, I.; Luque, F.J.; Estarellas, C.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-g09j2a-9a85196e0c0d381c57240c69c06911e6-wrap avia-button-left  avia-builder-el-26  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/www.frontiersin.org\/journals\/molecular-biosciences\/articles\/10.3389\/fmolb.2021.760026\/full' class='avia-button av-g09j2a-9a85196e0c0d381c57240c69c06911e6 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-62ol4y-54987c4fdeb3c1e1dc85d0037bdb120b\">\n#top .hr.av-62ol4y-54987c4fdeb3c1e1dc85d0037bdb120b{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-62ol4y-54987c4fdeb3c1e1dc85d0037bdb120b .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-62ol4y-54987c4fdeb3c1e1dc85d0037bdb120b hr-custom  avia-builder-el-27  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-f9mle-298b9850ed6c4340ded9740da78e13ad av_one_full  avia-builder-el-28  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjk3xp7-95518c708580550ab04c037d0e401dde\">\n#top .av-special-heading.av-lxjk3xp7-95518c708580550ab04c037d0e401dde{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjk3xp7-95518c708580550ab04c037d0e401dde .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjk3xp7-95518c708580550ab04c037d0e401dde .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjk3xp7-95518c708580550ab04c037d0e401dde av-special-heading-h2 blockquote modern-quote  avia-builder-el-29  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Holistic approach to anti-knock agents: A high-throughput screening of aniline-like compounds<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjk4wjx-8a077a83e93ccb4c7e0652de5b4ff87a '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>FUEL. 2021 Volume 305<br \/>\nArt. 121518<br \/>\nDOI 10.1016\/j.fuel.2021.121518<\/p>\n<p>Viayna, A.; Ghashghaei, O.; Vilchez, D.; Estarellas, C.; Lopez, M.; Gomez-Catalan, J.; Lavilla, R.; Delgado, J.; Luque, F.J.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-esygiq-4311c4e2aff5bdb72ace412db0fd2b14-wrap avia-button-left  avia-builder-el-31  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/www.sciencedirect.com\/science\/article\/pii\/S0016236121013971' class='avia-button av-esygiq-4311c4e2aff5bdb72ace412db0fd2b14 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-7cryq-4264fe7b062a8e29c10dbb351a78ef78\">\n#top .hr.av-7cryq-4264fe7b062a8e29c10dbb351a78ef78{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-7cryq-4264fe7b062a8e29c10dbb351a78ef78 .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-7cryq-4264fe7b062a8e29c10dbb351a78ef78 hr-custom  avia-builder-el-32  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-rr4v6q-6b77a14e993b0699122aee37f3480efd av_one_full  avia-builder-el-33  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjkahvb-72b8addcbb71740827b096dfc495b1ca\">\n#top .av-special-heading.av-lxjkahvb-72b8addcbb71740827b096dfc495b1ca{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjkahvb-72b8addcbb71740827b096dfc495b1ca .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjkahvb-72b8addcbb71740827b096dfc495b1ca .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjkahvb-72b8addcbb71740827b096dfc495b1ca av-special-heading-h2 blockquote modern-quote  avia-builder-el-34  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Amphiphilic Histidine-Based Oligopeptides Exhibit pH-Reversible Fibril Formation<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjkc5dy-ac9b688cf02ed945ea67ac73a7e95399 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>ACS MACRO LETTERS. 2021 Volume 10<br \/>\nStar page 984 End page 989<br \/>\nDOI 10.1021\/acsmacrolett.1c00142<\/p>\n<p>Jesus, C. N.; Evans, R.; Forth, J.; Estarellas, C.; Gervasio, F. L.; Battaglia, G<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-cq2zhe-1d0ba6d1c2fd3a8013d710f56b08e5fb-wrap avia-button-left  avia-builder-el-36  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/pubs.acs.org\/doi\/10.1021\/acsmacrolett.1c00142' class='avia-button av-cq2zhe-1d0ba6d1c2fd3a8013d710f56b08e5fb av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-pz4jxu-490477f563ab109c727060ad81c6c339\">\n#top .hr.av-pz4jxu-490477f563ab109c727060ad81c6c339{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-pz4jxu-490477f563ab109c727060ad81c6c339 .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-pz4jxu-490477f563ab109c727060ad81c6c339 hr-custom  avia-builder-el-37  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-m3zc5e-74a62e2d567c71c594dbf4caf875defe av_one_full  avia-builder-el-38  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjkea3p-be694bd7167f15fbf8056029abdae454\">\n#top .av-special-heading.av-lxjkea3p-be694bd7167f15fbf8056029abdae454{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjkea3p-be694bd7167f15fbf8056029abdae454 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjkea3p-be694bd7167f15fbf8056029abdae454 .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjkea3p-be694bd7167f15fbf8056029abdae454 av-special-heading-h2 blockquote modern-quote  avia-builder-el-39  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Concurrent mutations in RNA-dependent RNA polymerase and spike protein emerged as the epidemiologically most successful SARS-CoV-2 variant<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjkffli-5ce954b2abe6b7c1127f001bd3b16f60 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>SCIENTIFIC REPORTS. 2021 Volume 11<br \/>\nArt. 13705<br \/>\nDOI 10.1038\/s41598-021-91662-w<\/p>\n<p>Ilmjaerv, S.; Abdul, F.; Acosta-Gutierrez, S.; Estarellas, C.; Galdadas, I.; Casimir, M.; Alessandrini, M.; Gervasio, F. L.; Krause, K.-H.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-a8bglu-117965b68c9c2e80ba022916e0a4fed1-wrap avia-button-left  avia-builder-el-41  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/www.nature.com\/articles\/s41598-021-91662-w' class='avia-button av-a8bglu-117965b68c9c2e80ba022916e0a4fed1 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-g9ie36-0ab2ec13c10b812ba48c00e768ce72f7\">\n#top .hr.av-g9ie36-0ab2ec13c10b812ba48c00e768ce72f7{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-g9ie36-0ab2ec13c10b812ba48c00e768ce72f7 .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-g9ie36-0ab2ec13c10b812ba48c00e768ce72f7 hr-custom  avia-builder-el-42  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-1pqicy-674409b955411e59dc2bd703e079701b av_one_full  avia-builder-el-43  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjkg1ur-fcc840584a1b9b6aa443ef92850f8752\">\n#top .av-special-heading.av-lxjkg1ur-fcc840584a1b9b6aa443ef92850f8752{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjkg1ur-fcc840584a1b9b6aa443ef92850f8752 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjkg1ur-fcc840584a1b9b6aa443ef92850f8752 .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjkg1ur-fcc840584a1b9b6aa443ef92850f8752 av-special-heading-h2 blockquote modern-quote  avia-builder-el-44  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Structural basis of the selective activation of enzyme isoforms: Allosteric response to activators of \u03b21- and \u03b22-containing AMPK complexes<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjkhasj-44c369a895888a226f640812c637d255 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL. 2021 Volume 19<br \/>\nStar page. 3394 End page 3406<br \/>\nDOI 10.1016\/j.csbj.2021.05.056<\/p>\n<p>Aledavood, E.; Forte, A.; Estarellas, C.; Luque, F. J.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-xck8i-06880ad72c66c123e93fe764709987e9-wrap avia-button-left  avia-builder-el-46  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/www.sciencedirect.com\/science\/article\/pii\/S2001037021002452' class='avia-button av-xck8i-06880ad72c66c123e93fe764709987e9 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lemwxe-a61d1265b6a21034b7b009fdf8445cf1\">\n#top .hr.av-lemwxe-a61d1265b6a21034b7b009fdf8445cf1{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-lemwxe-a61d1265b6a21034b7b009fdf8445cf1 .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-lemwxe-a61d1265b6a21034b7b009fdf8445cf1 hr-custom  avia-builder-el-47  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-btokqq-cf05ffbd8be1f5210f15c18b8d67f8e1 av_one_full  avia-builder-el-48  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjkiegz-99868b0aa9d026c553298436f1a4b65d\">\n#top .av-special-heading.av-lxjkiegz-99868b0aa9d026c553298436f1a4b65d{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjkiegz-99868b0aa9d026c553298436f1a4b65d .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjkiegz-99868b0aa9d026c553298436f1a4b65d .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjkiegz-99868b0aa9d026c553298436f1a4b65d av-special-heading-h2 blockquote modern-quote  avia-builder-el-49  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Combining Machine Learning and Enhanced Sampling Techniques for Efficient and Accurate Calculation of Absolute Binding Free Energies<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjkk1qa-c18535c3751c4f2db29d04fd96ee256c '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 2020 Volume 16<br \/>\nStar page. 4641 End page 4654<br \/>\nDOI 10.1021\/acs.jctc.0c00075<\/p>\n<p>Evans, R.; Hovan, L.; Tribello, G. A.; Cossins, B. P.; Estarellas, C.; Gervasio, F. L.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-80nnv6-4a25c0c44bbe197a51405958e3739cc3-wrap avia-button-left  avia-builder-el-51  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.0c00075' class='avia-button av-80nnv6-4a25c0c44bbe197a51405958e3739cc3 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-5e23k2-1ed2eeb6d0207bf0d2f521051ee4a276\">\n#top .hr.av-5e23k2-1ed2eeb6d0207bf0d2f521051ee4a276{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-5e23k2-1ed2eeb6d0207bf0d2f521051ee4a276 .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-5e23k2-1ed2eeb6d0207bf0d2f521051ee4a276 hr-custom  avia-builder-el-52  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-6y8che-b18b20d26eb2ecaaff8adbd5c7eb7cd9 av_one_full  avia-builder-el-53  el_after_av_hr  el_before_av_hr  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjkinfv-7050f00a6573503f8c0df7333c474dc9\">\n#top .av-special-heading.av-lxjkinfv-7050f00a6573503f8c0df7333c474dc9{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjkinfv-7050f00a6573503f8c0df7333c474dc9 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjkinfv-7050f00a6573503f8c0df7333c474dc9 .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjkinfv-7050f00a6573503f8c0df7333c474dc9 av-special-heading-h2 blockquote modern-quote  avia-builder-el-54  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Modulating Ligand Dissociation through Methyl Isomerism in Accessory Sites: Binding of Retinol to Cellular Carriers<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjklgi7-2196603a1d458671a0639b5c58d0ff8b '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>JOURNAL OF PHYSICAL CHEMISTRY LETTERS. 2019 Volume 10<br \/>\nStar page. 7333 End page 7339<br \/>\nDOI 10.1021\/acs.jpclett.9b02861<\/p>\n<p>Estarellas, C.; Scaffidi, S.; Saladino, G.; Spyrakis, F.; Franzoni, L.; Galdeano, C.; Bidon-Chanal, A.; Gervasio, F.L.; Luque, F.J.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-5muvvm-fac916ca9a392f533e54543ef536032b-wrap avia-button-left  avia-builder-el-56  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpclett.9b02861' class='avia-button av-5muvvm-fac916ca9a392f533e54543ef536032b av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-4xfgmq-342b9abfc8b8aa1fe66f11d777d82aec\">\n#top .hr.av-4xfgmq-342b9abfc8b8aa1fe66f11d777d82aec{\nmargin-top:0;\nmargin-bottom:0;\n}\n.hr.av-4xfgmq-342b9abfc8b8aa1fe66f11d777d82aec .hr-inner{\nwidth:100%;\n}\n<\/style>\n<div  class='hr av-4xfgmq-342b9abfc8b8aa1fe66f11d777d82aec hr-custom  avia-builder-el-57  el_after_av_one_full  el_before_av_one_full  hr-center hr-icon-no'><span class='hr-inner inner-border-av-border-thin'><span class=\"hr-inner-style\"><\/span><\/span><\/div>\n<div  class='flex_column av-2jywgi-43d1b34459a4d16049f003c6d9be7651 av_one_full  avia-builder-el-58  el_after_av_hr  el_before_av_one_fifth  first flex_column_div  '     ><p>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-lxjkivve-4c25532a781caf94677cfbefa2a72b90\">\n#top .av-special-heading.av-lxjkivve-4c25532a781caf94677cfbefa2a72b90{\npadding-bottom:10px;\n}\nbody .av-special-heading.av-lxjkivve-4c25532a781caf94677cfbefa2a72b90 .av-special-heading-tag .heading-char{\nfont-size:25px;\n}\n.av-special-heading.av-lxjkivve-4c25532a781caf94677cfbefa2a72b90 .av-subheading{\nfont-size:15px;\n}\n<\/style>\n<div  class='av-special-heading av-lxjkivve-4c25532a781caf94677cfbefa2a72b90 av-special-heading-h2 blockquote modern-quote  avia-builder-el-59  el_before_av_textblock  avia-builder-el-first '><h2 class='av-special-heading-tag '  itemprop=\"headline\"  >Understanding the Mechanism of Direct Activation of AMP-Kinase: Toward a Fine Allosteric Tuning of the Kinase Activity<\/h2><div class=\"special-heading-border\"><div class=\"special-heading-inner-border\"><\/div><\/div><\/div><br \/>\n<section  class='av_textblock_section av-lxjkmkae-9570f548602c6a437665847f9d9f9271 '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock'  itemprop=\"text\" ><p>JOURNAL OF CHEMICAL INFORMATION AND MODELING. 2021 Volume 59<br \/>\nStar page. 2859 End page 2870<br \/>\nDOI 10.1021\/acs.jcim.8b00890<\/p>\n<p>Aledavood, E.; Moraes, G.; Lameira, J.; Castro, A.; Luque, F.J.; Estarellas, C.<\/p>\n<\/div><\/section><br \/>\n<div  class='avia-button-wrap av-1wqzv6-9214b1594c4a64615c653a3d37d04310-wrap avia-button-left  avia-builder-el-61  el_after_av_textblock  avia-builder-el-last '><a href='https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jcim.8b00890' class='avia-button av-1wqzv6-9214b1594c4a64615c653a3d37d04310 av-link-btn avia-icon_select-yes-left-icon avia-size-medium avia-position-left avia-color-theme-color' target=\"_blank\" rel=\"noopener noreferrer\" aria-label=\"Read more\"><span class='avia_button_icon avia_button_icon_left' aria-hidden='true' data-av_icon='\ue84f' data-av_iconfont='entypo-fontello'><\/span><span class='avia_iconbox_title' >Read more<\/span><\/a><\/div><\/p><\/div>\n<style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-m1ewi52b-86f7ce9367964309e8c5f10815a56559\">\n.flex_column.av-m1ewi52b-86f7ce9367964309e8c5f10815a56559{\npadding:10px 10px 10px 10px;\nbackground-color:#41658a;\n}\n<\/style>\n<div  class='flex_column av-m1ewi52b-86f7ce9367964309e8c5f10815a56559 av_one_fifth  avia-builder-el-62  el_after_av_one_full  avia-builder-el-last  infoabs first flex_column_div av-hide-on-mobile  column-top-margin'     ><style type=\"text\/css\" data-created_by=\"avia_inline_auto\" id=\"style-css-av-m1ewbynw-c6d3efc4a6377acb1ac5d9d584256dde\">\n#top .av_textblock_section.av-m1ewbynw-c6d3efc4a6377acb1ac5d9d584256dde .avia_textblock{\ncolor:#ffffff;\n}\n<\/style>\n<section  class='av_textblock_section av-m1ewbynw-c6d3efc4a6377acb1ac5d9d584256dde '   itemscope=\"itemscope\" itemtype=\"https:\/\/schema.org\/CreativeWork\" ><div class='avia_textblock av_inherit_color'  itemprop=\"text\" ><h3>You can also access<br \/>\nDr. Estarellas\u2019s profiles,<br \/>\nfor more information.<\/h3>\n<p><u>WoS Researcher ID<br \/>\n<\/u>U-6205-2017,<br \/>\n<u>SCOPUS Author ID<br \/>\n<\/u>23670229200<br \/>\n<u>ORCID<br \/>\n<\/u><a href=\"https:\/\/orcid.org\/0000-0002-0944-9053\" target=\"_blank\" rel=\"noopener\">0000-0002-0944-9053<\/a><\/p>\n<\/div><\/section><\/div><\/div><\/div><\/div><!-- close content main div --><\/div><\/div><div id='after_section_2'  class='main_color av_default_container_wrap 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-3426'><div class='entry-content-wrapper clearfix'>\n","protected":false},"excerpt":{"rendered":"","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-3426","page","type-page","status-publish","hentry"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v25.4 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>Publications - Protein Dynamics, Drug Design and Allosterism<\/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.ub.edu\/allo3d\/publications\/\" \/>\n<meta property=\"og:locale\" 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