{"id":9,"date":"2019-11-01T14:50:49","date_gmt":"2019-11-01T14:50:49","guid":{"rendered":"https:\/\/www.boltzmannmaps.com\/blog\/?p=9"},"modified":"2019-11-01T15:27:37","modified_gmt":"2019-11-01T15:27:37","slug":"bmaps-web-application-now-supports-generating-boltzmann-water-maps","status":"publish","type":"post","link":"https:\/\/www.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/","title":{"rendered":"BMaps Web Application Now Supports Generating Boltzmann Water Maps"},"content":{"rendered":"<p>The BMaps web application now supports generating Boltzmann Water Maps on structures from the Protein Data\u00a0Bank.<\/p>\n<p>Maps of where water molecules bind to proteins are an important tool for drug designers to obtain insights about how bound waters may impact the binding affinity of their compounds. Water maps from simulations, unlike other methods, provide a reliable free energy ranking of affinity of waters, so weak versus strong binders can be distinguished.<\/p>\n<p><!--more--><\/p>\n<p>Grand Canonical Monte Carlo simulations provide accurate water maps, unique\u00a0in efficiently\u00a0accounting for multi-water complexes.\u00a0 However, these simulations were previously not available to the broader research community.<\/p>\n<p>Now, in the BMaps web application, users can run their own simulations, with just a few mouse clicks, on structures from the Protein Data Bank or their own structures. Simulations can be run both with and without\u00a0a bound\u00a0drug\u00a0compound, providing information about displaced water molecules.<\/p>\n<p><a href=\"https:\/\/www.boltzmannmaps.com\/getting-started\/product-benefits\/#water-maps\">Boltzmann water maps<\/a> are now available at an unprecedented low cost, making this new tool affordable to drug researchers everywhere.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>The BMaps web application now supports generating Boltzmann Water Maps on structures from the Protein Data\u00a0Bank. Maps of where water molecules bind to proteins are an important tool for drug designers to obtain insights about how bound waters may impact the binding affinity of their compounds. Water maps from simulations, unlike other methods, provide a &hellip; <\/p>\n<p><a href=\"https:\/\/www.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/\" class=\"more-link\">Continue reading <span class=\"screen-reader-text\">BMaps Web Application Now Supports Generating Boltzmann Water Maps<\/span> &rarr;<\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[1],"tags":[],"class_list":["post-9","post","type-post","status-publish","format-standard","hentry","category-product-news"],"yoast_head":"<!-- This site is optimized with the Yoast SEO plugin v23.1 - https:\/\/yoast.com\/wordpress\/plugins\/seo\/ -->\n<title>BMaps Web Application Now Supports Generating Boltzmann Water Maps - Boltzmann Maps<\/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.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/\" \/>\n<meta property=\"og:locale\" content=\"en_US\" \/>\n<meta property=\"og:type\" content=\"article\" \/>\n<meta property=\"og:title\" content=\"BMaps Web Application Now Supports Generating Boltzmann Water Maps - Boltzmann Maps\" \/>\n<meta property=\"og:description\" content=\"The BMaps web application now supports generating Boltzmann Water Maps on structures from the Protein Data\u00a0Bank. Maps of where water molecules bind to proteins are an important tool for drug designers to obtain insights about how bound waters may impact the binding affinity of their compounds. 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Maps of where water molecules bind to proteins are an important tool for drug designers to obtain insights about how bound waters may impact the binding affinity of their compounds. Water maps from simulations, unlike other methods, provide a &hellip; Continue reading BMaps Web Application Now Supports Generating Boltzmann Water Maps &rarr;","og_url":"https:\/\/www.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/","og_site_name":"Boltzmann Maps","article_published_time":"2019-11-01T14:50:49+00:00","article_modified_time":"2019-11-01T15:27:37+00:00","author":"boltzmann","twitter_card":"summary_large_image","twitter_misc":{"Written by":"boltzmann","Est. reading time":"1 minute"},"schema":{"@context":"https:\/\/schema.org","@graph":[{"@type":"Article","@id":"https:\/\/www.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/#article","isPartOf":{"@id":"https:\/\/www.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/"},"author":{"name":"boltzmann","@id":"https:\/\/www.boltzmannmaps.com\/blog\/#\/schema\/person\/1bda8d93509873e7c6084858d04cca43"},"headline":"BMaps Web Application Now Supports Generating Boltzmann Water Maps","datePublished":"2019-11-01T14:50:49+00:00","dateModified":"2019-11-01T15:27:37+00:00","mainEntityOfPage":{"@id":"https:\/\/www.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/"},"wordCount":176,"commentCount":0,"publisher":{"@id":"https:\/\/www.boltzmannmaps.com\/blog\/#organization"},"articleSection":["Product News"],"inLanguage":"en-US"},{"@type":"WebPage","@id":"https:\/\/www.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/","url":"https:\/\/www.boltzmannmaps.com\/blog\/bmaps-web-application-now-supports-generating-boltzmann-water-maps\/","name":"BMaps Web Application Now Supports Generating Boltzmann Water Maps - 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