{"id":77118,"date":"2005-11-11T00:00:00","date_gmt":"2005-11-11T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/metodologias-computacionales-para-propiedades-en-disolucion-de-macromoleculas-ra%c2%adgidas-y-flexibles\/"},"modified":"2005-11-11T00:00:00","modified_gmt":"2005-11-11T00:00:00","slug":"metodologias-computacionales-para-propiedades-en-disolucion-de-macromoleculas-ra%c2%adgidas-y-flexibles","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica\/metodologias-computacionales-para-propiedades-en-disolucion-de-macromoleculas-ra%c2%adgidas-y-flexibles\/","title":{"rendered":"Metodolog\u00edas computacionales para propiedades en disoluci\u00f3n de macromol\u00e9culas r\u00edgidas y flexibles"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Alvaro Ortega Retuerta <\/strong><\/h2>\n<p>En esta tesis se presenta un estudio de simulaci\u00f3n, basado en el desarrollo de metodolog\u00edas tanto te\u00f3ricas como computacionales, que nos permiten el c\u00e1lculo de propiedades din\u00e1micas y conformacionales de macromol\u00e9culas biol\u00f3gicas en disoluci\u00f3n. El estudio es aplicable a cualquier tipo de estructura (r\u00edgida, flexible \u00f3 semiflexible), que la part\u00edcula adpote en la disoluci\u00f3n dependiendo de las condiciones en las que se encuentre.  por otra parte, las estrategias de modelado que se han desarrollado, permiten escoger, de entre los posibles modelos cua l es el m\u00e1s adecuado a cada estructura particular y obtener propiedades hodrodin\u00e1micas tales como coeficiente de difusi\u00f3n traslacional, coeficiente de sedimentaci\u00f3n, viscosidad intr\u00ednseca, tiempos de relajaci\u00f3n  as\u00ed como propiedades conformacionales como el radio de giro. Experimentalmente es posible la obtenci\u00f3n del valor de cada una de las propiedades mencionadas con t\u00e9cnicas tales como dispersi\u00f3n de luz en sus dos modalidades est\u00e1tica y din\u00e1mica, sedimentaci\u00f3n, viscosidad, etc&#8230; Los sistemas estudiados para la comprobaci\u00f3n de nuestra metodolog\u00eda han sido proteinas y \u00e1cidos nucleicos principalmente.  la investigaci\u00f3n se fundamenta en el desarrollo de programas de ordenador, denominados genericamente hydro, desarrollados en  el lenguaje de programaci\u00f3n fortran y que empezaron a desarrollarse en el grupo de investigaci\u00f3n hace unos a\u00f1os. En el caso del programa hydronmr, que permite calcular propiedades relacionadas con la relajaci\u00f3n rmn, y que habia sido ya utilizado anteriormente, se ha implementado una mejora considerable en tiempo de cpu,  utilizando un m\u00e9todo de c\u00e1lculo aproximado en lugar del riguroso empleado anteriormente, sin que los resultados se vean practicamente  afectados.  las aportaciones m\u00e1s relevantes de esta tesis doctoral, han sido el desarrollo e implementaci\u00f3n de nuevos programas de la serie hydro. Concretamente multihydro, multisub, y<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Metodolog\u00edas computacionales para propiedades en disoluci\u00f3n de macromol\u00e9culas r\u00edgidas y flexibles<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Metodolog\u00edas computacionales para propiedades en disoluci\u00f3n de macromol\u00e9culas r\u00edgidas y flexibles <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Alvaro Ortega Retuerta <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Murcia<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 11\/11\/2005<\/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> Garc\u00eda De La Torre Jos\u00e9<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal:  G\u00f3mez fern\u00e1ndez Juan  carmelo <\/li>\n<li>Mar\u00eda  del carmen Lopez Martinez (vocal)<\/li>\n<li>e. Harding stephen (vocal)<\/li>\n<li>germ\u00e1n Rivas caballero (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Alvaro Ortega Retuerta En esta tesis se presenta un estudio de simulaci\u00f3n, basado en el desarrollo de [&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":[160,8235,396,17,966],"tags":[166203,166204,25126,51885,8563,3788],"class_list":["post-77118","post","type-post","status-publish","format-standard","hentry","category-bioquimica","category-murcia","category-polipeptidos-y-proteinas","category-quimica","category-quimica-macromolecular","tag-alvaro-ortega-retuerta","tag-e-harding-stephen","tag-garcia-de-la-torre-jose","tag-german-rivas-caballero","tag-gomez-fernandez-juan-carmelo","tag-maria-del-carmen-lopez-Martinez"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/77118","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=77118"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/77118\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=77118"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=77118"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=77118"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}