Search results for "RED"
showing 10 items of 23890 documents
Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screening.
2015
In drug discovery the reliable prediction of binding free energies is of crucial importance. Methods that combine molecular mechanics force fields with continuum solvent models have become popular because of their high accuracy and relatively good computational efficiency. In this research we studied the performance of molecular mechanics generalized Born surface area (MM-GBSA), molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), and solvated interaction energy (SIE) both in their virtual screening efficiency and their ability to predict experimentally determined binding affinities for five different protein targets. The protein-ligand complexes were derived with two different app…
A magnetic look into the protecting layer of Au25 clusters
2016
The field of molecular metal clusters protected by organothiolates is experiencing a very rapid growth. So far, however, a clear understanding of the fine interactions between the cluster core and the capping monolayer has remained elusive, despite the importance of the latter in interfacing the former to the surrounding medium. Here, we describe a very sensitive methodology that enables comprehensive assessment of these interactions. Pulse electron nuclear double resonance (ENDOR) was employed to study the interaction of the unpaired electron with the protons of the alkanethiolate ligands in four structurally related paramagnetic Au25(SR)0 18 clusters (R ¼ ethyl, propyl, butyl, 2-methylpro…
CHANGES IN THE EUROPEAN CENTRAL BANK (ECB) APPROACHES IN MATTERS OF MONETARY POLICY AFTER THE OUTBREAK OF THE INTERNATIONAL FINANCIAL CRISIS
2012
The problem of monetary policy is a current one, given the fact that now, through this component of the economic policy, the monetary authority of each state tries to solve the problems considered essential for each economy separately. Through this article I have tried to capture the major changes regarding the implementation of the ECB's monetary policy before and after the outbreak of the international financial crisis. Following the analysis I have shown that the monetary policy of the ECB is not a constant one in its actions and instruments used but it is adapted to a conjuncture context through which the European economy is passing through. Therefore, in this paper I have broadly shown…
Quelques observations récentes sur des sites de l'Antiquité tardive à Autun (2001-2008)
2011
This article describes the result of ten or so fairly limited preventive archaeology operations (surveillance of works, diagnostics not followed up with excavations) carried out over the last ten years that have nonetheless finalised knowledge of several deposits from Late Antiquity in Autun located intra muros but also outside the walls. The works have enabled us to renew our knowledge of the reduced enclosure and of three Late Antiquity necropolises, to discover the remains of a lime kiln from the end of the 4th century at the centre of a public zone (perhaps the forum), and lastly to point up the difficulties of interpretation of an occupation of two zones from the end of the 4th century…
Mašīntulkotu nosaukto entitāšu gramatisko locījumu noteikšana automātiskajā pēcrediģēšanā
2020
Dziļās mašīnmācīšanās sasniegumi ir veicinājuši ievērojamu attīstību mašīntulkošanas jomā. Tomēr joprojām bieži tiek novērots, ka retas nosauktās entitātes neironu mašīntulkošanas sistēmas iztulko nepareizi. Kļūdaini tulkotu nosaukto entitāšu labošanu var veikt, izmantojot automātisko pēcrediģēšanu. Pēcrediģēšana kā vienu no soļiem ietver teikuma kontekstā iederīgas morfoloģiskās formas noteikšanu. Šī darba mērķis bija izstrādāt un apmācīt klasifikatoru nosauktās entitātes teikumā iederīgo morfoloģisko kategoriju formu paredzēšanai. Darba ietvaros tika izpētīts, kā risinātas līdzīgas ar vārdu kontekstuālu morfoloģisko analīzi saistītas problēmas, sagatavoti klasifikatoram piemēroti apmācība…
Modelo predictivo de mortalidad a largo plazo en el trasplante hepático del adulto
2015
El trasplante hepático es el tratamiento de elección de muchas hepatopatías terminales y un procedimiento que ha ido evolucionando desde sus inicios, mejorando sus resultados con el paso del tiempo. A pesar de que nuestro país es uno de los que presentan las tasas de donación más altas del mundo, debido al incremento en el número de indicaciones para la realización de un trasplante hepático, porcentaje de pacientes que fallecen en lista de espera se cifra en torno al 5 %. Por ello se continúa investigando y buscando modelos predictivos y de asignación de injertos a fin de mejorar la eficiencia global del procedimiento. En nuestro trabajo planteamos como objetivo el desarrollo de un modelo p…
Laulunopetuksen psyykkisistä vaikutuksista : opetuksen kriittisiä tekijöitä ja terapeuttisia piirteitä
2015
Tutkimuksessa tarkasteltiin laulunopetuksen tuntitapahtumia psyykkisten ilmiöiden näkökulmasta ja pyrittiin selvittämään millaisia kriittisiä ja terapeuttisia tekijöitä laulunopetus sisältää. Tätä tutkittiin laulunopiskelijoille lähetetyllä sähköisellä kyselyllä, joka sisälsi sekä monivalintakysymyksiä että avoimia kysymyksiä. Kysymyksillä pyrittiin selvittämään mitä opiskelijat mielsivät sisältyvän hyvään laulutuntiin ja laulunopettajaan. Myös opettajien näkökulma tuotiin esiin kolmessa haastattelussa, joissa kysyttiin opettajien mielipiteitä hyvän laulutunnin edellytyksistä, onnistuneen opettaja-oppilassuhteen edellytyksistä, opetuksen tyypillisimmistä kipupisteistä sekä opettavimmista ja…
MOTIVACIÓN Y ESTILO ATRIBUCIONAL SOBRE EL RENDIMIENTO ACADÉMICO EN EDUCACIÓN INFANTIL
2016
El presente trabajo tiene como objetivo examinar el poder predictivo de variables del sistema motivacional sobre las habilidades iniciales de lectura y matemáticas en una muestra de niños de Educación Infantil. Participaron 209 preescolares (5-6 años) y sus maestros. Se evaluaron las habilidades matemáticas de conteo, conocimiento de los números, cálculo y resolución de problemas. Para determinar el rendimiento en lectura se administraron tareas de identificación de letras y de lectura de palabras. Respecto al sistema motivacional, se analizaron las variables de competencia-motivación, atención-persistencia y actitud hacia el aprendizaje, así como las dimensiones de internalidad, globalida…
Neural Correlates of Age-Related Changes in Precise Grip Force Regulation: A Combined EEG-fNIRS Study
2020
Motor control is associated with suppression of oscillatory activity in alpha (8–12 Hz) and beta (12–30 Hz) ranges and elevation of oxygenated hemoglobin levels in motor-cortical areas. Aging leads to changes in oscillatory and hemodynamic brain activity and impairments in motor control. However, the relationship between age-related changes in motor control and brain activity is not yet fully understood. Therefore, this study aimed to investigate age-related and task-complexity-related changes in grip force control and the underlying oscillatory and hemodynamic activity. Sixteen younger [age (mean ± SD) = 25.4 ± 1.9, 20–30 years] and 16 older (age = 56.7 ± 4.7, 50–70 years) healthy men were…