Advanced Protein Modeling Method: Benchmarking and Applications in Computer-Aided Drug Discovery

Development of homology modeling methods will remain an area of active research. These methods aim to develop and model increasingly accurate three-dimensional structures of yet uncrystallized therapeutically relevant proteins e.g. Class A G-Protein Coupled Receptors. Incorporating protein flexibility is one way to achieve this goal. Here, I will discuss the enhancement and validation of the ligand-steered modeling, originally developed by Dr. Claudio Cavasotto, via cross modeling of the newly crystallized GPCR structures. This method uses known ligands and known experimental information to optimize relevant protein binding sites by incorporating protein flexibility. The ligand-steered models were able to model, reasonably reproduce binding sites and the co-crystallized native ligand poses of the β2 adrenergic and Adenosine 2A receptors using a single template structure. They also performed better than the choice of template, and crude models in a small scale high-throughput docking experiments and compound selectivity studies. Next, the application of this method to develop high-quality homology models of Cannabinoid Receptor 2, an emerging non-psychotic pain management target, is discussed. These models were validated by their ability to rationalize structure activity relationship data of two, inverse agonist and agonist, series of compounds. The method was also applied to improve the virtual screening performance of the β2 adrenergic crystal structure by optimizing the binding site using β2 specific compounds. These results show the feasibility of optimizing only the pharmacologically relevant protein binding sites and applicability to structure-based drug design projects.

Learning&Information Technologies Cartography

Nowadays, many researches focus their efforts in studies and applications on the Learning area. However, there is a lack of a reference system that permits to know the positioning and the existing links between Learning and Information Technologies. This paper proposes a Cartography where explains the relationships between the elements that compose the Learning Theories and Information Technologies, considering the own features of the learner and the Information Technologies Properties. This intersection will allow us to know what Information Technologies Properties promote Learning Futures.

Enhancing Activity Recognition by Fusing Inertial and Biometric Information

Activity recognition is an active research field nowadays, as it enables the development of highly adaptive applications, e.g. in the field of personal health. In this paper, a light high-level fusion algorithm to detect the activity that an individual is performing is presented. The algorithm relies on data gathered from accelerometers placed on different parts of the body, and on biometric sensors. Inertial sensors allow detecting activity by analyzing signal features such as amplitude or peaks. In addition, there is a relationship between the activity intensity and biometric response, which can be considered together with acceleration data to improve the accuracy of activity detection. The proposed algorithm is designed to work with minimum computational cost, being ready to run in a mobile device as part of a context-aware application. In order to enable different user scenarios, the algorithm offers best-effort activity estimation: its quality of estimation depends on the position and number of the available inertial sensors, and also on the presence of biometric information.

Improving Speech Interaction in Vehicles Using Context-Aware Information through A SCXML Framework

Speech Technologies can provide important benefits for the development of more usable and safe in-vehicle human-machine interactive systems (HMIs). However mainly due robustness issues, the use of spoken interaction can entail important distractions to the driver. In this challenging scenario, while speech technologies are evolving, further research is necessary to explore how they can be complemented with both other modalities (multimodality) and information from the increasing number of available sensors (context-awareness). The perceived quality of speech technologies can significantly be increased by implementing such policies, which simply try to make the best use of all the available resources; and the in vehicle scenario is an excellent test-bed for this kind of initiatives. In this contribution we propose an event-based HMI design framework which combines context modelling and multimodal interaction using a W3C XML language known as SCXML. SCXML provides a general process control mechanism that is being considered by W3C to improve both voice interaction (VoiceXML) and multimodal interaction (MMI). In our approach we try to anticipate and extend these initiatives presenting a flexible SCXML-based approach for the design of a wide range of multimodal context-aware HMI in-vehicle interfaces. The proposed framework for HMI design and specification has been implemented in an automotive OSGi service platform, and it is being used and tested in the Spanish research project MARTA for the development of several in-vehicle interactive applications.

Moving Object Detection for Real-Time High-Quality Lightweight Applications on Smart Cameras

Here, a novel and efficient strategy for moving object detection by non-parametric modeling on smart cameras is presented. Whereas the background is modeled using only color information, the foreground model combines color and spatial information. The application of a particle filter allows the update of the spatial information and provides a priori information about the areas to analyze in the following images, enabling an important reduction in the computational requirements and improving the segmentation results

Managing Industrial Simulator Visual Databases Using Geographic Information Systems

Geographic Information Systems are developed to handle enormous volumes of data and are equipped with numerous functionalities intended to capture, store, edit, organise, process and analyse or represent the geographically referenced information. On the other hand, industrial simulators for driver training are real-time applications that require a virtual environment, either geospecific, geogeneric or a combination of the two, over which the simulation programs will be run. In the final instance, this environment constitutes a geographic location with its specific characteristics of geometry, appearance, functionality, topography, etc. The set of elements that enables the virtual simulation environment to be created and in which the simulator user can move, is usually called the Visual Database (VDB). The main idea behind the work being developed approaches a topic that is of major interest in the field of industrial training simulators, which is the problem of analysing, structuring and describing the virtual environments to be used in large driving simulators. This paper sets out a methodology that uses the capabilities and benefits of Geographic Information Systems for organising, optimising and managing the visual Database of the simulator and for generally enhancing the quality and performance of the simulator.

3D Object following based on visual information for Unmanned Aerial Vehicles

This article presents a novel system and a control strategy for visual following of a 3D moving object by an Unmanned Aerial Vehicle UAV. The presented strategy is based only on the visual information given by an adaptive tracking method based on the color information, which jointly with the dynamics of a camera fixed to a rotary wind UAV are used to develop an Image-based visual servoing IBVS system. This system is focused on continuously following a 3D moving target object, maintaining it with a fixed distance and centered on the image plane. The algorithm is validated on real flights on outdoors scenarios, showing the robustness of the proposed systems against winds perturbations, illumination and weather changes among others. The obtained results indicate that the proposed algorithms is suitable for complex controls task, such object following and pursuit, flying in formation, as well as their use for indoor navigation

Developing Accessible Mobile Phone Applications: The Case of a Contact Manager and Real Time Text Applications

Mobile phones are becoming increasingly popular and are already the first access technology to information and communication. However, people with disabilities have to face a lot of barriers when using this kind of technology. This paper presents an Accessible Contact Manager and a Real Time Text application, designed to be used by all users with disabilities. Both applications are focused to improve accessibility of mobile phones.

Design and evaluation of acceleration strategies for speeding up the development of dialog applications

In this paper, we describe a complete development platform that features different innovative acceleration strategies, not included in any other current platform, that simplify and speed up the definition of the different elements required to design a spoken dialog service. The proposed accelerations are mainly based on using the information from the backend database schema and contents, as well as cumulative information produced throughout the different steps in the design. Thanks to these accelerations, the interaction between the designer and the platform is improved, and in most cases the design is reduced to simple confirmations of the “proposals” that the platform dynamically provides at each step. In addition, the platform provides several other accelerations such as configurable templates that can be used to define the different tasks in the service or the dialogs to obtain or show information to the user, automatic proposals for the best way to request slot contents from the user (i.e. using mixed-initiative forms or directed forms), an assistant that offers the set of more probable actions required to complete the definition of the different tasks in the application, or another assistant for solving specific modality details such as confirmations of user answers or how to present them the lists of retrieved results after querying the backend database. Additionally, the platform also allows the creation of speech grammars and prompts, database access functions, and the possibility of using mixed initiative and over-answering dialogs. In the paper we also describe in detail each assistant in the platform, emphasizing the different kind of methodologies followed to facilitate the design process at each one. Finally, we describe the results obtained in both a subjective and an objective evaluation with different designers that confirm the viability, usefulness, and functionality of the proposed accelerations. Thanks to the accelerations, the design time is reduced in more than 56% and the number of keystrokes by 84%.

Integrated learning of computer applications for production engineering

A high productivity rate in Engineering is related to an efficient management of the flow of the large quantities of information and associated decision making activities that are consubstantial to the Engineering processes both in design and production contexts. Dealing with such problems from an integrated point of view and mimicking real scenarios is not given much attention in Engineering degrees. In the context of Engineering Education, there are a number of courses designed for developing specific competencies, as required by the academic curricula, but not that many in which integration competencies are the main target. In this paper, a course devoted to that aim is discussed. The course is taught in a Marine Engineering degree but the philosophy could be used in any Engineering field. All the lessons are given in a computer room in which every student can use each all the treated software applications. The first part of the course is dedicated to Project Management: the students acquire skills in defining, using Ms-PROJECT, the work breakdown structure (WBS), and the organization breakdown structure (OBS) in Engineering projects, through a series of examples of increasing complexity, ending up with the case of vessel construction. The second part of the course is dedicated to the use of a database manager, Ms-ACCESS, for managing production related information. A series of increasing complexity examples is treated ending up with the management of the pipe database of a real vessel. This database consists of a few thousand of pipes, for which a production timing frame is defined, which connects this part of the course with the first one. Finally, the third part of the course is devoted to the work with FORAN, an Engineering Production package of widespread use in the shipbuilding industry. With this package, the frames and plates where all the outfitting will be carried out are defined through cooperative work by the studens, working simultaneously in the same 3D model. In the paper, specific details about the learning process are given. Surveys have been posed to the students in order to get feed-back from their experience as well as to assess their satisfaction with the learning process. Results from these surveys are discussed in the paper

Using SCXML to integrate semantic sensor information into context-aware user interfaces

This paper describes a novel architecture to introduce automatic annotation and processing of semantic sensor data within context-aware applications. Based on the well-known state-charts technologies, and represented using W3C SCXML language combined with Semantic Web technologies, our architecture is able to provide enriched higher-level semantic representations of user’s context. This capability to detect and model relevant user situations allows a seamless modeling of the actual interaction situation, which can be integrated during the design of multimodal user interfaces (also based on SCXML) for them to be adequately adapted. Therefore, the final result of this contribution can be described as a flexible context-aware SCXML-based architecture, suitable for both designing a wide range of multimodal context-aware user interfaces, and implementing the automatic enrichment of sensor data, making it available to the entire Semantic Sensor Web

Applications for wireless sensor networks : tracking with binary proximity sensors

El interés cada vez mayor por las redes de sensores inalámbricos pueden ser entendido simplemente pensando en lo que esencialmente son: un gran número de pequeños nodos sensores autoalimentados que recogen información o detectan eventos especiales y se comunican de manera inalámbrica, con el objetivo final de entregar sus datos procesados a una estación base. Los nodos sensores están densamente desplegados dentro del área de interés, se pueden desplegar al azar y tienen capacidad de cooperación. Por lo general, estos dispositivos son pequeños y de bajo costo, de modo que pueden ser producidos y desplegados en gran numero aunque sus recursos en términos de energía, memoria, velocidad de cálculo y ancho de banda están enormemente limitados. Detección, tratamiento y comunicación son tres elementos clave cuya combinación en un pequeño dispositivo permite lograr un gran número de aplicaciones. Las redes de sensores proporcionan oportunidades sin fin, pero al mismo tiempo plantean retos formidables, tales como lograr el máximo rendimiento de una energía que es escasa y por lo general un recurso no renovable. Sin embargo, los recientes avances en la integración a gran escala, integrado de hardware de computación, comunicaciones, y en general, la convergencia de la informática y las comunicaciones, están haciendo de esta tecnología emergente una realidad. Del mismo modo, los avances en la nanotecnología están empezando a hacer que todo gire entorno a las redes de pequeños sensores y actuadores distribuidos. Hay diferentes tipos de sensores tales como sensores de presión, acelerómetros, cámaras, sensores térmicos o un simple micrófono. Supervisan las condiciones presentes en diferentes lugares tales como la temperatura, humedad, el movimiento, la luminosidad, presión, composición del suelo, los niveles de ruido, la presencia o ausencia de ciertos tipos de objetos, los niveles de tensión mecánica sobre objetos adheridos y las características momentáneas tales como la velocidad , la dirección y el tamaño de un objeto, etc. Se comprobara el estado de las Redes Inalámbricas de Sensores y se revisaran los protocolos más famosos. Así mismo, se examinara la identificación por radiofrecuencia (RFID) ya que se está convirtiendo en algo actual y su presencia importante. La RFID tiene un papel crucial que desempeñar en el futuro en el mundo de los negocios y los individuos por igual. El impacto mundial que ha tenido la identificación sin cables está ejerciendo fuertes presiones en la tecnología RFID, los servicios de investigación y desarrollo, desarrollo de normas, el cumplimiento de la seguridad y la privacidad y muchos más. Su potencial económico se ha demostrado en algunos países mientras que otros están simplemente en etapas de planificación o en etapas piloto, pero aun tiene que afianzarse o desarrollarse a través de la modernización de los modelos de negocio y aplicaciones para poder tener un mayor impacto en la sociedad. Las posibles aplicaciones de redes de sensores son de interés para la mayoría de campos. La monitorización ambiental, la guerra, la educación infantil, la vigilancia, la micro-cirugía y la agricultura son solo unos pocos ejemplos de los muchísimos campos en los que tienen cabida las redes mencionadas anteriormente. Estados Unidos de América es probablemente el país que más ha investigado en esta área por lo que veremos muchas soluciones propuestas provenientes de ese país. Universidades como Berkeley, UCLA (Universidad de California, Los Ángeles) Harvard y empresas como Intel lideran dichas investigaciones. Pero no solo EE.UU. usa e investiga las redes de sensores inalámbricos. La Universidad de Southampton, por ejemplo, está desarrollando una tecnología para monitorear el comportamiento de los glaciares mediante redes de sensores que contribuyen a la investigación fundamental en glaciología y de las redes de sensores inalámbricos. Así mismo, Coalesenses GmbH (Alemania) y Zurich ETH están trabajando en diversas aplicaciones para redes de sensores inalámbricos en numerosas áreas. Una solución española será la elegida para ser examinada más a fondo por ser innovadora, adaptable y polivalente. Este estudio del sensor se ha centrado principalmente en aplicaciones de tráfico, pero no se puede olvidar la lista de más de 50 aplicaciones diferentes que ha sido publicada por la firma creadora de este sensor específico. En la actualidad hay muchas tecnologías de vigilancia de vehículos, incluidos los sensores de bucle, cámaras de video, sensores de imagen, sensores infrarrojos, radares de microondas, GPS, etc. El rendimiento es aceptable, pero no suficiente, debido a su limitada cobertura y caros costos de implementación y mantenimiento, especialmente este ultimo. Tienen defectos tales como: línea de visión, baja exactitud, dependen mucho del ambiente y del clima, no se puede realizar trabajos de mantenimiento sin interrumpir las mediciones, la noche puede condicionar muchos de ellos, tienen altos costos de instalación y mantenimiento, etc. Por consiguiente, en las aplicaciones reales de circulación, los datos recibidos son insuficientes o malos en términos de tiempo real debido al escaso número de detectores y su costo. Con el aumento de vehículos en las redes viales urbanas las tecnologías de detección de vehículos se enfrentan a nuevas exigencias. Las redes de sensores inalámbricos son actualmente una de las tecnologías más avanzadas y una revolución en la detección de información remota y en las aplicaciones de recogida. Las perspectivas de aplicación en el sistema inteligente de transporte son muy amplias. Con este fin se ha desarrollado un programa de localización de objetivos y recuento utilizando una red de sensores binarios. Esto permite que el sensor necesite mucha menos energía durante la transmisión de información y que los dispositivos sean más independientes con el fin de tener un mejor control de tráfico. La aplicación se centra en la eficacia de la colaboración de los sensores en el seguimiento más que en los protocolos de comunicación utilizados por los nodos sensores. Las operaciones de salida y retorno en las vacaciones son un buen ejemplo de por qué es necesario llevar la cuenta de los coches en las carreteras. Para ello se ha desarrollado una simulación en Matlab con el objetivo localizar objetivos y contarlos con una red de sensores binarios. Dicho programa se podría implementar en el sensor que Libelium, la empresa creadora del sensor que se examinara concienzudamente, ha desarrollado. Esto permitiría que el aparato necesitase mucha menos energía durante la transmisión de información y los dispositivos sean más independientes. Los prometedores resultados obtenidos indican que los sensores de proximidad binarios pueden formar la base de una arquitectura robusta para la vigilancia de áreas amplias y para el seguimiento de objetivos. Cuando el movimiento de dichos objetivos es suficientemente suave, no tiene cambios bruscos de trayectoria, el algoritmo ClusterTrack proporciona un rendimiento excelente en términos de identificación y seguimiento de trayectorias los objetos designados como blancos. Este algoritmo podría, por supuesto, ser utilizado para numerosas aplicaciones y se podría seguir esta línea de trabajo para futuras investigaciones. No es sorprendente que las redes de sensores de binarios de proximidad hayan atraído mucha atención últimamente ya que, a pesar de la información mínima de un sensor de proximidad binario proporciona, las redes de este tipo pueden realizar un seguimiento de todo tipo de objetivos con la precisión suficiente. Abstract The increasing interest in wireless sensor networks can be promptly understood simply by thinking about what they essentially are: a large number of small sensing self-powered nodes which gather information or detect special events and communicate in a wireless fashion, with the end goal of handing their processed data to a base station. The sensor nodes are densely deployed inside the phenomenon, they deploy random and have cooperative capabilities. Usually these devices are small and inexpensive, so that they can be produced and deployed in large numbers, and so their resources in terms of energy, memory, computational speed and bandwidth are severely constrained. Sensing, processing and communication are three key elements whose combination in one tiny device gives rise to a vast number of applications. Sensor networks provide endless opportunities, but at the same time pose formidable challenges, such as the fact that energy is a scarce and usually non-renewable resource. However, recent advances in low power Very Large Scale Integration, embedded computing, communication hardware, and in general, the convergence of computing and communications, are making this emerging technology a reality. Likewise, advances in nanotechnology and Micro Electro-Mechanical Systems are pushing toward networks of tiny distributed sensors and actuators. There are different sensors such as pressure, accelerometer, camera, thermal, and microphone. They monitor conditions at different locations, such as temperature, humidity, vehicular movement, lightning condition, pressure, soil makeup, noise levels, the presence or absence of certain kinds of objects, mechanical stress levels on attached objects, the current characteristics such as speed, direction and size of an object, etc. The state of Wireless Sensor Networks will be checked and the most famous protocols reviewed. As Radio Frequency Identification (RFID) is becoming extremely present and important nowadays, it will be examined as well. RFID has a crucial role to play in business and for individuals alike going forward. The impact of ‘wireless’ identification is exerting strong pressures in RFID technology and services research and development, standards development, security compliance and privacy, and many more. The economic value is proven in some countries while others are just on the verge of planning or in pilot stages, but the wider spread of usage has yet to take hold or unfold through the modernisation of business models and applications. Possible applications of sensor networks are of interest to the most diverse fields. Environmental monitoring, warfare, child education, surveillance, micro-surgery, and agriculture are only a few examples. Some real hardware applications in the United States of America will be checked as it is probably the country that has investigated most in this area. Universities like Berkeley, UCLA (University of California, Los Angeles) Harvard and enterprises such as Intel are leading those investigations. But not just USA has been using and investigating wireless sensor networks. University of Southampton e.g. is to develop technology to monitor glacier behaviour using sensor networks contributing to fundamental research in glaciology and wireless sensor networks. Coalesenses GmbH (Germany) and ETH Zurich are working in applying wireless sensor networks in many different areas too. A Spanish solution will be the one examined more thoroughly for being innovative, adaptable and multipurpose. This study of the sensor has been focused mainly to traffic applications but it cannot be forgotten the more than 50 different application compilation that has been published by this specific sensor’s firm. Currently there are many vehicle surveillance technologies including loop sensors, video cameras, image sensors, infrared sensors, microwave radar, GPS, etc. The performance is acceptable but not sufficient because of their limited coverage and expensive costs of implementation and maintenance, specially the last one. They have defects such as: line-ofsight, low exactness, depending on environment and weather, cannot perform no-stop work whether daytime or night, high costs for installation and maintenance, etc. Consequently, in actual traffic applications the received data is insufficient or bad in terms of real-time owed to detector quantity and cost. With the increase of vehicle in urban road networks, the vehicle detection technologies are confronted with new requirements. Wireless sensor network is the state of the art technology and a revolution in remote information sensing and collection applications. It has broad prospect of application in intelligent transportation system. An application for target tracking and counting using a network of binary sensors has been developed. This would allow the appliance to spend much less energy when transmitting information and to make more independent devices in order to have a better traffic control. The application is focused on the efficacy of collaborative tracking rather than on the communication protocols used by the sensor nodes. Holiday crowds are a good case in which it is necessary to keep count of the cars on the roads. To this end a Matlab simulation has been produced for target tracking and counting using a network of binary sensors that e.g. could be implemented in Libelium’s solution. Libelium is the enterprise that has developed the sensor that will be deeply examined. This would allow the appliance to spend much less energy when transmitting information and to make more independent devices. The promising results obtained indicate that binary proximity sensors can form the basis for a robust architecture for wide area surveillance and tracking. When the target paths are smooth enough ClusterTrack particle filter algorithm gives excellent performance in terms of identifying and tracking different target trajectories. This algorithm could, of course, be used for different applications and that could be done in future researches. It is not surprising that binary proximity sensor networks have attracted a lot of attention lately. Despite the minimal information a binary proximity sensor provides, networks of these sensing modalities can track all kinds of different targets classes accurate enough.

Determinacy analysis for logic programs using mode and type information

We propose an analysis for detecting procedures and goals that are deterministic (i.e. that produce at most one solution), or predicates whose clause tests are mutually exclusive (which implies that at most one of their clauses will succeed) even if they are not deterministic (because they cali other predicates that can produce more than one solution). Applications of such determinacy information include detecting programming errors, performing certain high-level program transformations for improving search efñciency, optimizing low level code generation and parallel execution, and estimating tighter upper bounds on the computational costs of goals and data sizes, which can be used for program debugging, resource consumption and granularity control, etc. We have implemented the analysis and integrated it in the CiaoPP system, which also infers automatically the mode and type information that our analysis takes as input. Experiments performed on this implementation show that the analysis is fairly accurate and efncient.

Abstract specialization and its applications

The aim of program specialization is to optimize programs by exploiting certain knowledge about the context in which the program will execute. There exist many program manipulation techniques which allow specializing the program in different ways. Among them, one of the best known techniques is partial evaluation, often referred to simply as program specialization, which optimizes programs by specializing them for (partially) known input data. In this work we describe abstract specialization, a technique whose main features are: (1) specialization is performed with respect to "abstract" valúes rather than "concrete" ones, and (2) abstract interpretation rather than standard interpretation of the program is used in order to propágate information about execution states. The concept of abstract specialization is at the heart of the specialization system in CiaoPP, the Ciao system preprocessor. In this paper we present a unifying view of the different specialization techniques used in CiaoPP and discuss their potential applications by means of examples. The applications discussed include program parallelization, optimization of dynamic scheduling (concurreney), and integration of partial evaluation techniques.

Numerical Error Prediction and its applications in CFD using tau-estimation

Nowadays, Computational Fluid Dynamics (CFD) solvers are widely used within the industry to model fluid flow phenomenons. Several fluid flow model equations have been employed in the last decades to simulate and predict forces acting, for example, on different aircraft configurations. Computational time and accuracy are strongly dependent on the fluid flow model equation and the spatial dimension of the problem considered. While simple models based on perfect flows, like panel methods or potential flow models can be very fast to solve, they usually suffer from a poor accuracy in order to simulate real flows (transonic, viscous). On the other hand, more complex models such as the full Navier- Stokes equations provide high fidelity predictions but at a much higher computational cost. Thus, a good compromise between accuracy and computational time has to be fixed for engineering applications. A discretisation technique widely used within the industry is the so-called Finite Volume approach on unstructured meshes. This technique spatially discretises the flow motion equations onto a set of elements which form a mesh, a discrete representation of the continuous domain. Using this approach, for a given flow model equation, the accuracy and computational time mainly depend on the distribution of nodes forming the mesh. Therefore, a good compromise between accuracy and computational time might be obtained by carefully defining the mesh. However, defining an optimal mesh for complex flows and geometries requires a very high level expertize in fluid mechanics and numerical analysis, and in most cases a simple guess of regions of the computational domain which might affect the most the accuracy is impossible. Thus, it is desirable to have an automatized remeshing tool, which is more flexible with unstructured meshes than its structured counterpart. However, adaptive methods currently in use still have an opened question: how to efficiently drive the adaptation ? Pioneering sensors based on flow features generally suffer from a lack of reliability, so in the last decade more effort has been made in developing numerical error-based sensors, like for instance the adjoint-based adaptation sensors. While very efficient at adapting meshes for a given functional output, the latter method is very expensive as it requires to solve a dual set of equations and computes the sensor on an embedded mesh. Therefore, it would be desirable to develop a more affordable numerical error estimation method. The current work aims at estimating the truncation error, which arises when discretising a partial differential equation. These are the higher order terms neglected in the construction of the numerical scheme. The truncation error provides very useful information as it is strongly related to the flow model equation and its discretisation. On one hand, it is a very reliable measure of the quality of the mesh, therefore very useful in order to drive a mesh adaptation procedure. On the other hand, it is strongly linked to the flow model equation, so that a careful estimation actually gives information on how well a given equation is solved, which may be useful in the context of _ -extrapolation or zonal modelling. The following work is organized as follows: Chap. 1 contains a short review of mesh adaptation techniques as well as numerical error prediction. In the first section, Sec. 1.1, the basic refinement strategies are reviewed and the main contribution to structured and unstructured mesh adaptation are presented. Sec. 1.2 introduces the definitions of errors encountered when solving Computational Fluid Dynamics problems and reviews the most common approaches to predict them. Chap. 2 is devoted to the mathematical formulation of truncation error estimation in the context of finite volume methodology, as well as a complete verification procedure. Several features are studied, such as the influence of grid non-uniformities, non-linearity, boundary conditions and non-converged numerical solutions. This verification part has been submitted and accepted for publication in the Journal of Computational Physics. Chap. 3 presents a mesh adaptation algorithm based on truncation error estimates and compares the results to a feature-based and an adjoint-based sensor (in collaboration with Jorge Ponsín, INTA). Two- and three-dimensional cases relevant for validation in the aeronautical industry are considered. This part has been submitted and accepted in the AIAA Journal. An extension to Reynolds Averaged Navier- Stokes equations is also included, where _ -estimation-based mesh adaptation and _ -extrapolation are applied to viscous wing profiles. The latter has been submitted in the Proceedings of the Institution of Mechanical Engineers, Part G: Journal of Aerospace Engineering. Keywords: mesh adaptation, numerical error prediction, finite volume Hoy en día, la Dinámica de Fluidos Computacional (CFD) es ampliamente utilizada dentro de la industria para obtener información sobre fenómenos fluidos. La Dinámica de Fluidos Computacional considera distintas modelizaciones de las ecuaciones fluidas (Potencial, Euler, Navier-Stokes, etc) para simular y predecir las fuerzas que actúan, por ejemplo, sobre una configuración de aeronave. El tiempo de cálculo y la precisión en la solución depende en gran medida de los modelos utilizados, así como de la dimensión espacial del problema considerado. Mientras que modelos simples basados en flujos perfectos, como modelos de flujos potenciales, se pueden resolver rápidamente, por lo general aducen de una baja precisión a la hora de simular flujos reales (viscosos, transónicos, etc). Por otro lado, modelos más complejos tales como el conjunto de ecuaciones de Navier-Stokes proporcionan predicciones de alta fidelidad, a expensas de un coste computacional mucho más elevado. Por lo tanto, en términos de aplicaciones de ingeniería se debe fijar un buen compromiso entre precisión y tiempo de cálculo. Una técnica de discretización ampliamente utilizada en la industria es el método de los Volúmenes Finitos en mallas no estructuradas. Esta técnica discretiza espacialmente las ecuaciones del movimiento del flujo sobre un conjunto de elementos que forman una malla, una representación discreta del dominio continuo. Utilizando este enfoque, para una ecuación de flujo dado, la precisión y el tiempo computacional dependen principalmente de la distribución de los nodos que forman la malla. Por consiguiente, un buen compromiso entre precisión y tiempo de cálculo se podría obtener definiendo cuidadosamente la malla, concentrando sus elementos en aquellas zonas donde sea estrictamente necesario. Sin embargo, la definición de una malla óptima para corrientes y geometrías complejas requiere un nivel muy alto de experiencia en la mecánica de fluidos y el análisis numérico, así como un conocimiento previo de la solución. Aspecto que en la mayoría de los casos no está disponible. Por tanto, es deseable tener una herramienta que permita adaptar los elementos de malla de forma automática, acorde a la solución fluida (remallado). Esta herramienta es generalmente más flexible en mallas no estructuradas que con su homóloga estructurada. No obstante, los métodos de adaptación actualmente en uso todavía dejan una pregunta abierta: cómo conducir de manera eficiente la adaptación. Sensores pioneros basados en las características del flujo en general, adolecen de una falta de fiabilidad, por lo que en la última década se han realizado grandes esfuerzos en el desarrollo numérico de sensores basados en el error, como por ejemplo los sensores basados en el adjunto. A pesar de ser muy eficientes en la adaptación de mallas para un determinado funcional, este último método resulta muy costoso, pues requiere resolver un doble conjunto de ecuaciones: la solución y su adjunta. Por tanto, es deseable desarrollar un método numérico de estimación de error más asequible. El presente trabajo tiene como objetivo estimar el error local de truncación, que aparece cuando se discretiza una ecuación en derivadas parciales. Estos son los términos de orden superior olvidados en la construcción del esquema numérico. El error de truncación proporciona una información muy útil sobre la solución: es una medida muy fiable de la calidad de la malla, obteniendo información que permite llevar a cabo un procedimiento de adaptación de malla. Está fuertemente relacionado al modelo matemático fluido, de modo que una estimación precisa garantiza la idoneidad de dicho modelo en un campo fluido, lo que puede ser útil en el contexto de modelado zonal. Por último, permite mejorar la precisión de la solución resolviendo un nuevo sistema donde el error local actúa como término fuente (_ -extrapolación). El presenta trabajo se organiza de la siguiente manera: Cap. 1 contiene una breve reseña de las técnicas de adaptación de malla, así como de los métodos de predicción de los errores numéricos. En la primera sección, Sec. 1.1, se examinan las estrategias básicas de refinamiento y se presenta la principal contribución a la adaptación de malla estructurada y no estructurada. Sec 1.2 introduce las definiciones de los errores encontrados en la resolución de problemas de Dinámica Computacional de Fluidos y se examinan los enfoques más comunes para predecirlos. Cap. 2 está dedicado a la formulación matemática de la estimación del error de truncación en el contexto de la metodología de Volúmenes Finitos, así como a un procedimiento de verificación completo. Se estudian varias características que influyen en su estimación: la influencia de la falta de uniformidad de la malla, el efecto de las no linealidades del modelo matemático, diferentes condiciones de contorno y soluciones numéricas no convergidas. Esta parte de verificación ha sido presentada y aceptada para su publicación en el Journal of Computational Physics. Cap. 3 presenta un algoritmo de adaptación de malla basado en la estimación del error de truncación y compara los resultados con sensores de featured-based y adjointbased (en colaboración con Jorge Ponsín del INTA). Se consideran casos en dos y tres dimensiones, relevantes para la validación en la industria aeronáutica. Este trabajo ha sido presentado y aceptado en el AIAA Journal. También se incluye una extensión de estos métodos a las ecuaciones RANS (Reynolds Average Navier- Stokes), en donde adaptación de malla basada en _ y _ -extrapolación son aplicados a perfiles con viscosidad de alas. Este último trabajo se ha presentado en los Actas de la Institución de Ingenieros Mecánicos, Parte G: Journal of Aerospace Engineering. Palabras clave: adaptación de malla, predicción del error numérico, volúmenes finitos