1,722,025 research outputs found
Propuesta didáctica de innovación basada en gamificación para el aprendizaje de los Objetivos de Desarrollo Sostenible
No full textMorillo Martinez, Ana María; director de proyecto: Haro Carrasco, Esther2022-2023Máster Universitario en Profesorado de Educación Secundaria Obligatoria y Bachillerato, Formación Profesional y Enseñanza de IdiomasFacultad de Ciencias de la Educació
Computing free energy, binding and competition within Fragment Based Drug Discovery
No full textThe development of JAFS, a new computational method to study the binding geometries of small fragment molecules to protein cavities, estimate their binding affinities and analyse how they compete for a common protein binding site, all in the context of Fragment Based Drug Discovery, is presented in this thesis.Fragment Based Drug Discovery is an approach to drug development which studies the binding of small ligands (fragments) forming high quality interactions with their target. Further optimization of these fragments into drug-like molecules, adding functionalities to increase affinity while controlling other relevant properties such as toxicity and absorption then takes place. JAFS studies the binding of fragments to their target proteins.The JAFS method consists of the execution and analysis of Monte Carlo simulations of fragments (and waters) in the binding cavities of proteins with an added degree of freedom which accounts for the scaling of the interaction energy of the fragment (and water). Sampling of states at very low interaction energies gives a boost in fragment configurational sampling while competition between different fragments to remain at unscaled (high) interaction energies at a given binding site provides information on their relative binding affinities. JAFS is built on the JAWS formulation for water binding to protein cavities.The performance of the JAFS method on a range of different test cases (T4 Lyzozyme, Major Urinary Protein I, Cyclin Dependent Kinase 2 and Heat Shock Protein 90) was studied. JAFS is divided in two protocols to rank fragments by affinity and locate binding geometries, respectively. The ranking of fragments by affinity to a common protein target was satisfactory (as compared to experimental data) for the simpler systems (T4 Lyzozyme and Major Urinary Protein I). However, more demanding systems proved problematic, where the ranking of nine different ligands to the binding site of Cyclin Dependent Kinase 2 provided results unrelated to experimental binding affinities.Studying pose generation in sets of five repeats per simulation, the crystal binding geometry of every fragment studied was found in at least one of the repeats, without providing any previous information on the system (such as the presence or location of water mediated interactions or the hydration state of the cavity). Consistency between repeats was however found to be problematic and no method is currently able to select the optimal binding geometry among all the generated poses. Suggestions are given for further developments which would provide a methodology to rank poses
Formas materiales de sepulturas en Córdoba, Argentina, a principios del siglo XX. Juan Kronfuss
Full text linkEl arquitecto húngaro Juan Kronfuss, ejerció su profesión principalmente en Córdoba (Argentina) a comienzos del siglo XX. Plasmó sus ideas sobre monumentos funerarios en una publicación aparecida en dicha ciudad en 1927. Su breve biografía y la referencia a las principales obras que llevó a cabo en Buenos Aires y Córdoba permiten valorar su importancia profesional, lo que aquilata sus ideas sobre sepulturas, adaptadas a las características de cada persona que debía enterrarse.Fil: Martinez, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigaciones y Estudios sobre Cultura y Sociedad. Universidad Nacional de Córdoba. Centro de Investigaciones y Estudios sobre Cultura y Sociedad; Argentin
Formas materiales de sepulturas en Córdoba, Argentina, a principios del siglo XX. Juan Kronfuss
Full text linkEl arquitecto húngaro Juan Kronfuss, ejerció su profesión principalmente en Córdoba (Argentina) a comienzos del siglo XX. Plasmó sus ideas sobre monumentos funerarios en una publicación aparecida en dicha ciudad en 1927. Su breve biografía y la referencia a las principales obras que llevó a cabo en Buenos Aires y Córdoba permiten valorar su importancia profesional, lo que aquilata sus ideas sobre sepulturas, adaptadas a las características de cada persona que debía enterrarse.Fil: Martinez, Ana Maria. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigaciones y Estudios sobre Cultura y Sociedad. Universidad Nacional de Córdoba. Centro de Investigaciones y Estudios sobre Cultura y Sociedad; Argentin
Going Beyond Counting First Authors in Author Co-citation Analysis
Full text linkThe present study examines one of the fundamental aspects of author co-citation analysis (ACA) - the way co-citation
counts are defined. Co-citation counting provides the data on which all subsequent statistical analyses and mappings
are based, and we compare ACA results based on two different types of co-citation counting - the traditional type that
only counts the first one among a cited work's authors on the one hand and a non-traditional type that takes into
account the first 5 authors of a cited work on the other hand. Results indicate that the picture produced through this non-traditional author co-citation counting contains more coherent author groups and is therefore considerably clearer. However, this picture represents fewer specialties in the research field being studied than that produced through the traditional first-author co-citation counting when the same number of top-ranked authors is selected and analyzed. Reasons for these effects are discussed
Variations on the Author
Full text link“Variations on the Author” discusses two of Eduardo Coutinho’s recent films (Um Dia na Vida, from 2010, and Últimas Conversas, posthumously released in 2015) and their contribution to the general question of documentary authorship. The director’s filmography is characterized by a consistent yet self-effacing form of authorial self-inscription: Coutinho often features as an interviewer that rather than express opinions propels discourses; an interviewer that is good at listening. This mode of self-inscription characterizes him as an author who is not expressive but who is nonetheless markedly present on the screen. In Um Dia na Vida, however, Coutinho is completely absent form the image, while Últimas Conversas, on the contrary, includes a confessional prologue that moves the director from the margins to the center of his films. This article examines the ways in which these works stand out in the filmography of a director who offers new insights into the notion of cinematic authorship
Appropriate Similarity Measures for Author Cocitation Analysis
Full text linkWe provide a number of new insights into the methodological discussion about author cocitation analysis. We first argue that the use of the Pearson correlation for measuring the similarity between authors’ cocitation profiles is not very satisfactory. We then discuss what kind of similarity measures may be used as an alternative to the Pearson correlation. We consider three similarity measures in particular. One is the well-known cosine. The other two similarity measures have not been used before in the bibliometric literature. Finally, we show by means of an example that our findings have a high practical relevance.information science;Pearson correlation;cosine;similarity measure;author cocitation analysis
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