{"id":112679,"date":"2012-09-05T00:00:00","date_gmt":"2012-09-05T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/metodologa%c2%adas-para-la-prediccion-de-propiedades-conformacionales-y-dinamicas-de-macromoleculas-biologicas-en-disolucion\/"},"modified":"2012-09-05T00:00:00","modified_gmt":"2012-09-05T00:00:00","slug":"metodologa%c2%adas-para-la-prediccion-de-propiedades-conformacionales-y-dinamicas-de-macromoleculas-biologicas-en-disolucion","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/polipeptidos-y-proteinas\/metodologa%c2%adas-para-la-prediccion-de-propiedades-conformacionales-y-dinamicas-de-macromoleculas-biologicas-en-disolucion\/","title":{"rendered":"Metodolog\u00edas para la predicci\u00f3n de propiedades conformacionales y din\u00e1micas de macromol\u00e9culas biol\u00f3gicas en disoluci\u00f3n."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Diego Amor\u00f3s Cerd\u00e1n <\/strong><\/h2>\n<p>Esta tesis doctoral se centra principalmente en el c\u00e1lculo de propiedades en disoluci\u00f3n (radio de giro, curvas saxs, difusi\u00f3n, sedimentaci\u00f3n, viscosidad y rotaci\u00f3n) de macromol\u00e9culas de diversos tipos, desde (bio)pol\u00edmeros lineales hasta prote\u00ednas, con diversos grados de flexibilidad. Se han desarrollado una serie de teor\u00edas y m\u00e9todos, incluyendo avances en la ciencia de la computaci\u00f3n, con el objetivo de proporcionar herramientas \u00fatiles para su uso el campo de la determinaci\u00f3n y validaci\u00f3n estructural de (bio)mol\u00e9culas. Hemos estudiado el modelo vermiforme mediante m\u00e9todos avanzados de hidrodin\u00e1mica y c\u00e1lculo monte carlo, que permite predecir las propiedades en disoluci\u00f3n de cualquier pol\u00edmero vermiforme (adn, polisac\u00e1ridos, sint\u00e9ticos), independientemente de su tama\u00f1o o flexibilidad. Tambi\u00e9n es posible obtener sus par\u00e1metros conformacionales (di\u00e1metro, longitud y longitud de persistencia) a partir de sus propiedades experimentales. Por otro lado, dise\u00f1amos un esquema computacional empleando din\u00e1mica browniana para el c\u00e1lculo de propiedades de prote\u00ednas desnaturalizadas, completamente desordenadas, e intr\u00ednsecamente desordenadas.     this doctoral thesis focuses mainly on the calculation of solution properties (radius of gyration, saxs curves, diffusion, sedimentation, viscosity and rotation) of various types of macromolecules, from linear (bio)polymers to proteins. We have developed several theories and methods, including advances in computer science, in order to provide useful tools for the validation or structural determination of (bio) molecules. We have studied the wormlike model using advanced hydrodynamic and monte carlo methodologies, which predict the properties in solution of any wormlike polymer (dna, polysaccharides, synthetic), regardless of its size or flexibility. It is also possible to obtain its conformational parameters (diameter, length and persistence length) from experimental properties. In addition, we designed a computational scheme using brownian dynamics to calculate the properties of denatured, fully disordered and intrinsically disordered proteins.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Metodolog\u00edas para la predicci\u00f3n de propiedades conformacionales y din\u00e1micas de macromol\u00e9culas biol\u00f3gicas en disoluci\u00f3n.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Metodolog\u00edas para la predicci\u00f3n de propiedades conformacionales y din\u00e1micas de macromol\u00e9culas biol\u00f3gicas en disoluci\u00f3n. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Diego Amor\u00f3s Cerd\u00e1n <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Murcia<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 09\/05\/2012<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Jose Garcia De La Torre<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Juan  carmelo Gomez fernandez <\/li>\n<li>Miguel xavier Fernandes .. (vocal)<\/li>\n<li>Antonio Rey gayo (vocal)<\/li>\n<li>Jos\u00e9 Luis Neira falairo (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Diego Amor\u00f3s Cerd\u00e1n Esta tesis doctoral se centra principalmente en el c\u00e1lculo de propiedades en disoluci\u00f3n (radio [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[8036,1387,8235,396,13227],"tags":[30036,224078,192365,121416,134064,224079],"class_list":["post-112679","post","type-post","status-publish","format-standard","hentry","category-biofisica","category-macromoleculas","category-murcia","category-polipeptidos-y-proteinas","category-simulacion","tag-antonio-rey-gayo","tag-diego-amoros-cerdan","tag-jose-garcia-de-la-torre","tag-jose-luis-neira-falairo","tag-juan-carmelo-gomez-fernandez","tag-miguel-xavier-fernandes"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/112679","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=112679"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/112679\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=112679"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=112679"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=112679"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}