{"id":96488,"date":"2009-09-10T00:00:00","date_gmt":"2009-09-10T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/methodological-approach-to-conformational-search-a-study-case-cyclodextrins\/"},"modified":"2009-09-10T00:00:00","modified_gmt":"2009-09-10T00:00:00","slug":"methodological-approach-to-conformational-search-a-study-case-cyclodextrins","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/estereoquimica-y-analisis-conformacional\/methodological-approach-to-conformational-search-a-study-case-cyclodextrins\/","title":{"rendered":"Methodological approach to conformational search. a study case: cyclodextrins."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Kepa Koldo Burusco Go\u00f1i <\/strong><\/h2>\n<p>No es dif\u00edcil encontrar ejemplos que muestren la incuestionalble importacia de la estereoqu\u00edmica en temas como la salud o la econom\u00eda: por una parte, la quiralidad es tristemente bien conocida debido al desastre de la talidomida. Por otra parte, encontramos recientemente otro ejemplo no menos importante dentro del campo de las conformaciones de macromol\u00e9culas: la enfermedad de creutzfeld-jacob. Por ello, creemos que es relevante examinar m\u00e1s detenidamente aquellos temas relacionados con los estudios conformacionales.  en la presente tesis doctoral se propone un proceso en 2 etapas para estudiar espacios conformacionales de macromol\u00e9culas mediante simulated annealing (sa) y din\u00e1mica molecular (dm). Ambas metodolog\u00edas son bien conocidas dentro del campo de la modelizaci\u00f3n molecular; sin embargo la principal contribuci\u00f3n aportada por este trabajo es el desarrollo de herramientas metodol\u00f3gicas mejoradas -descriptores moleculares adecuados, an\u00e1lisis de saturaci\u00f3n de conformaciones y grado de solapamiento de trayectorias- para medir cuantitativamente la evoluci\u00f3n y convergencia de los c\u00e1lculos sa y md.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Methodological approach to conformational search. a study case: cyclodextrins.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Methodological approach to conformational search. a study case: cyclodextrins. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Kepa Koldo Burusco Go\u00f1i <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de barcelona<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 09\/10\/2009<\/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>Carlos Jaime Cardiel<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Antonio  jos\u00e9 Entrena guadix <\/li>\n<li>Mar\u00eda isabel Rozas hernando (vocal)<\/li>\n<li>  (vocal)<\/li>\n<li>  (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Kepa Koldo Burusco Go\u00f1i No es dif\u00edcil encontrar ejemplos que muestren la incuestionalble importacia de la estereoqu\u00edmica [&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 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