Search results for " DOC"

Getting Docking into Shape Using Negative Image-Based Rescoring

2019

The failure of default scoring functions to ensure virtual screening enrichment is a persistent problem for the molecular docking algorithms used in the structure-based drug discovery. To remedy this problem, elaborate rescoring and post-processing schemes have been developed with a varying degree of success, specificity, and cost. The negative imagebased rescoring (R-NiB) has been shown to improve the flexible docking performance markedly with a variety of drug targets.The yield improvement is achieved by comparing the alternative docking poses against the negative image of the target protein’s ligand-binding cavity. In other words, the shape and electrostatics of the binding pocket is dir…

Targeting SARS-CoV-2 RBD Interface: a Supervised Computational Data-Driven Approach to Identify Potential Modulators

2020

Coronavirus disease 2019 (COVID-19) has spread out as a pandemic threat affecting over 2 million people. The infectious process initiates via binding of SARS-CoV-2 Spike (S) glycoprotein to host angiotensin-converting enzyme 2 (ACE2). The interaction is mediated by the receptor-binding domain (RBD) of S glycoprotein, promoting host receptor recognition and binding to ACE2 peptidase domain (PD), thus representing a promising target for therapeutic intervention. Herein, we present a computational study aimed at identifying small molecules potentially able to target RBD. Although targeting PPI remains a challenge in drug discovery, our investigation highlights that interaction between SARS-CoV…

Atto pubblico

2010

Un exemple de l'ús de les TIC en l'elaboració de pràctiques per a l'ensenyament de macroeconomia: el model de Solow

2009

Apenas existen publicaciones de materiales basados en el uso de las TICs como apoyo a la docencia y aprendizaje en Economía. El objetivo de este artículo es presentar una práctica de laboratorio asociada a la docencia en Macroeconomía a nivel intermedio. La práctica propuesta requiere la navegación por la red para la búsqueda de datos, la utilización de una hoja de cálculo para la simulación de un modelo económico y el uso de un procesador de texto para la redacción del informe de resultados. Además de detallarse en qué consiste la práctica, se exponen algunas sugerencias sobre cómo describirla para facilitar su realización y, al mismo tiempo, hacerla atractiva desde el punto de vista del a…

DISEÑO Y VALIDACIÓN DE UNA ESCALA PARA EVALUAR LAS ESTRATEGIAS DE GESTIÓN E INTERVENCIÓN DOCENTE EN EDUCACIÓN PRIMARIA

2015

<p>Este artículo aporta evidencias de validación de una escala de valoración destinada a evaluar las estrategias de gestión e intervención docente, también llamadas metodologías docentes, empleadas por el profesorado de primaria. Esta investigación es realizada desde dos aproximaciones: una cuantitativa basada en un estudio de encuesta, donde se recogen las valoraciones de estudiantes acerca de cómo se aprende en el aula y qué recursos, actividades y sistemas de evaluación utiliza el profesorado; y una cualitativa basada en las aportaciones de un comité de personas expertas. Los análisis realizados atienden a la validez de contenido y de constructo de la escala así como a la fiabilida…

Fare ricerca al di fuori dell'Accademia. Un documentario storico su Furio jesi.

2015

Since September 2014 I am engaged in a multimedia research project focused on the life and works of Furio Jesi; in this article I will discuss the genesis of my research and methodological consequences arising from my choice of doing research outside of academic institutions. Assuming that the oral history in the Digital Age should not be deprived of the use of video as an investigative historiography tool, I will then try to explain how the work of the documentarian is often intertwined with that of the historian. Hence I will describe how Public History is inevitably linked to a form of private funding different from traditional Academics. In this sense I will describe my research project…

Clinical and Functional Characteristics of COPD Patients Across GOLD Classifications: Results of a Multicenter Observational Study.

2019

Chronic obstructive pulmonary disease (COPD) is a heterogeneous disease. The severity grading systems proposed by the Global initiative for Chronic Obstructive Lung Disease (GOLD) have changed over time. The aim of the study was to evaluate if the different GOLD classifications can capture the complexity of the disease by investigating the distribution of lung function and clinical parameters across the GOLD classification systems. This was an observational, retrospective, multicentre study. COPD patients were stratified according to the GOLD severity grading proposed in the 2007, and to the ABCD assessment tool present in the 2011, and 2017 versions of the initiative. Data from body plethy…

Knowledge Gaps and Research Priorities in Immune Checkpoint Inhibitor–related Pneumonitis. An Official American Thoracic Society Research Statement

2019

Rationale: Immune checkpoint inhibitors (ICIs) have revolutionized cancer care but are associated with unique adverse events, including potentially life-threatening pneumonitis. The diagnosis of ICI-pneumonitis is increasing; however, the biological mechanisms, clinical and radiologic features, and the diagnosis and management have not been well defined. Objectives: To summarize evidence, identify knowledge and research gaps, and prioritize topics and propose methods for future research on ICI-pneumonitis. Methods: A multidisciplinary group of international clinical researchers reviewed available data on ICI-pneumonitis to develop and refine research questions pertaining to ICI-pneumonitis.…

An Official American Thoracic Society Workshop Report: Evaluation and Management of Asthma in the Elderly.

2016

Asthma in the elderly (>65 yr old) is common and associated with higher morbidity and mortality than asthma in younger patients. The poor outcomes in this group are due, in part, to underdiagnosis and undertreatment. There are a variety of factors related to aging itself that affect the presentation of asthma in the elderly and influence diagnosis and management. Structural changes in the aging lung superimposed on structural changes due to asthma itself can worsen the disease and physiologic function. Changes in the aging immune system influence the cellular composition and function in asthmatic airways. These processes and differences from younger individuals with asthma are not well u…

Zvaigžņotā Debess: 2011/12, Ziema (214)

2011

Saturs: Gamma staru astronomijas problēmas ; Apollo-14 Mēness ekspedīcija ; A.Laure. Protoplanetāro miglāju stadija zvaigžņu evolūcijā ; A.A. Jaunumi īsumā: Oglekļa zvaigzne un rentgenstaru avots ; A.Alksnis. Heršels ielūkojas Miras galvā ; D.Docenko. Jauns dziļš debess apskats WiggleZ ir pabeigts: gaidām rezultātus ; A.A. Jaunumi īsumā: Pundurplanēta Erīda ir precīzi izmērīta. Atvērto durvju dienā Garhingā... ; M.Gertāns. Iepazīstot Kenedija kosmosa centru un atvadoties no Space Shuttle ; J.Dambītis. Ievērojams Latvijas matemātiķis – docents Nikolajs Brāzma (1913-1966) ; J.Jansons. Fiziķu centieni 1950.-1960. gados atgriezt fundamentālo zinātni Universitātē ; V.Fļorovs, A.Cēbers, D.Bočarov…