{"id":3240,"date":"2025-08-03T16:50:03","date_gmt":"2025-08-03T20:50:03","guid":{"rendered":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/?p=3240"},"modified":"2025-08-04T07:43:55","modified_gmt":"2025-08-04T11:43:55","slug":"congratulations-on-publication-of-recent-developments-in-amber-biomolecular-simulations","status":"publish","type":"post","link":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/2025\/08\/congratulations-on-publication-of-recent-developments-in-amber-biomolecular-simulations\/","title":{"rendered":"A paper on &#8220;Recent Developments in Amber Biomolecular Simulations&#8221;"},"content":{"rendered":"<p>A paper has been published by the Amber development team on &#8220;<strong><a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/acs.jcim.5c01063\">Recent Developments in Amber Biomolecular Simulations<\/a><\/strong>&#8220;!<\/p>\n<div id=\"Abstract\" class=\"article_abstract-title\">\n<h2>Abstract<\/h2>\n<\/div>\n<div id=\"abstractBox\" class=\"article_abstract-content hlFld-Abstract\">\n<figure id=\"_i1\" class=\"article__inlineFigure article_abstract-img\" data-index=\"0\"><button class=\"figure-viewer__trigger\" aria-label=\"open figure viewer\"><img decoding=\"async\" id=\"tgr1\" class=\"inline-fig internalNav\" src=\"https:\/\/pubs.acs.org\/cms\/10.1021\/acs.jcim.5c01063\/asset\/images\/medium\/ci5c01063_0002.gif\" alt=\"\" \/><\/button><\/figure>\n<p class=\"articleBody_abstractText\">Amber is a molecular dynamics (MD) software package first conceived by Peter Kollman, his lab and collaborators to simulate biomolecular systems. The\u00a0<i>pmemd<\/i> module is available as a serial version for central processing units (CPUs), NVIDIA and Advanced Micro Devices (AMD) graphics processing unit (GPU) versions as well as Message Passing Interface (MPI) parallel versions. Advanced capabilities include thermodynamic integration, replica exchange MD and accelerated MD methods. A brief update to the software and recently added capabilities is described in this Application Note.<\/p>\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>A paper has been published by the Amber development team on &#8220;Recent Developments in Amber Biomolecular Simulations&#8220;! Abstract Amber is a molecular dynamics (MD) software package first conceived by Peter Kollman, his lab and collaborators to simulate biomolecular systems. The\u00a0pmemd module is available as a serial version for central processing units (CPUs), NVIDIA and Advanced &hellip; <a href=\"https:\/\/www.med.unc.edu\/pharm\/miaolab\/2025\/08\/congratulations-on-publication-of-recent-developments-in-amber-biomolecular-simulations\/\" aria-label=\"Read more about A paper on &#8220;Recent Developments in Amber Biomolecular Simulations&#8221;\">Read more<\/a><\/p>\n","protected":false},"author":115433,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"layout":"","cellInformation":"","apiCallInformation":"","footnotes":"","_links_to":"","_links_to_target":""},"categories":[1],"tags":[],"class_list":["post-3240","post","type-post","status-publish","format-standard","hentry","category-news","odd"],"acf":[],"featured_image":false,"featured_image_medium":false,"featured_image_medium_large":false,"featured_image_large":false,"featured_image_thumbnail":false,"featured_image_alt":false,"category_details":[{"name":"News","link":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/category\/news\/"}],"tag_details":[],"_links_to":[],"_links_to_target":[],"_links":{"self":[{"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/posts\/3240","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/users\/115433"}],"replies":[{"embeddable":true,"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/comments?post=3240"}],"version-history":[{"count":3,"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/posts\/3240\/revisions"}],"predecessor-version":[{"id":3243,"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/posts\/3240\/revisions\/3243"}],"wp:attachment":[{"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/media?parent=3240"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/categories?post=3240"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.med.unc.edu\/pharm\/miaolab\/wp-json\/wp\/v2\/tags?post=3240"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}