{"id":104,"date":"2021-06-14T08:15:18","date_gmt":"2021-06-14T07:15:18","guid":{"rendered":"https:\/\/modsim-pharma.com\/?page_id=104"},"modified":"2021-09-28T09:48:01","modified_gmt":"2021-09-28T08:48:01","slug":"thermal-stability","status":"publish","type":"page","link":"https:\/\/modsim-pharma.com\/index.php\/thermal-stability\/","title":{"rendered":"Thermal Stability"},"content":{"rendered":"\n
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From structural biology to enzyme design or optimized pharmacology, modulation of the thermal stability of proteins can be accurately modeled with our technology.<\/em><\/p>\n<\/div>\n\n\n\n

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A recent example was published in the Journal of Chemical Theory and Computation:<\/p>\n\n\n\n

QresFEP: an automated protocol for free energy calculations of protein mutations in Q<\/a>
W. Jespers, G.V. Isaksen, T.A.H. Andberg, S. Vasile, A. van Veen, J. \u00c5qvist, B.O. Brandsdal, H. Guti\u00e9rrez-de-Ter\u00e1n, Journal of Chemical Theory and Computation<\/em> 2019<\/strong>, 15<\/em> (10), 5461\u20135473.<\/p>\n\n\n\n

Calculations of the relative stability of T4-lysozyme due to single point mutations. (A) Thermodynamic cycle used, where the folded-state is on the top horizontal leg with mutated positions represented in orange sticks. The unfolded state (bottom leg) is represented by a simple Ala-X-Ala tripeptide. (B) Experimental versus calculated shifts in thermal stability, expressed as \u0394\u0394G<\/em> (Kcal\/mol), for the 43 mutants as calculated with QresFEP (blue dots) and FEP+ (orange dots). The solid line represents a perfect correlation, and the dotted and dashed lines indicate the thresholds at \u00b11 and \u00b12 kcal\/mol respectively<\/p>\n<\/div>\n\n\n\n

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From structural biology to enzyme design or optimized pharmacology, modulation of the thermal stability of proteins can be accurately modeled with our technology. A recent example was published in the Journal of Chemical Theory and Computation: QresFEP: an automated protocol for free energy calculations of protein mutations in QW. Jespers, G.V. Isaksen, T.A.H. Andberg, S.… Read More »Thermal Stability<\/span><\/a><\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"neve_meta_sidebar":"","neve_meta_container":"","neve_meta_enable_content_width":"","neve_meta_content_width":0,"neve_meta_title_alignment":"","neve_meta_author_avatar":"","neve_post_elements_order":"","neve_meta_disable_header":"","neve_meta_disable_footer":"","neve_meta_disable_title":"","footnotes":""},"class_list":["post-104","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/modsim-pharma.com\/index.php\/wp-json\/wp\/v2\/pages\/104","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/modsim-pharma.com\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/modsim-pharma.com\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/modsim-pharma.com\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/modsim-pharma.com\/index.php\/wp-json\/wp\/v2\/comments?post=104"}],"version-history":[{"count":9,"href":"https:\/\/modsim-pharma.com\/index.php\/wp-json\/wp\/v2\/pages\/104\/revisions"}],"predecessor-version":[{"id":787,"href":"https:\/\/modsim-pharma.com\/index.php\/wp-json\/wp\/v2\/pages\/104\/revisions\/787"}],"wp:attachment":[{"href":"https:\/\/modsim-pharma.com\/index.php\/wp-json\/wp\/v2\/media?parent=104"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}