Search results for "computational"
showing 10 items of 5884 documents
Interaction between odorants and proteins involved in the perception of smell: the case of odorant-binding proteins probed by molecular modelling and…
2012
A joint approach that combines molecular modelling and fluorescence spectroscopy is used to study the affinity of an odorant binding protein towards various odorant molecules. We focus on the capability of molecular modelling to rank odorants according to their affinity with this protein, which is involved in the sense of smell. Although ligand-based approaches are unable to propose an accurate model attending to the strength of the bond with the odorant-binding protein, receptor-based structures considering either static or dynamic structure of the protein perform equally to discriminate between good, medium and low affinity odorants. Such approaches will be useful for further rational des…
Visualizing Human Protein‐Protein Interactions and Subcellular Localizations on Cell Images Through CellMap
2020
Visualizing protein data remains a challenging and stimulating task. Useful and intuitive visualization tools may help advance biomolecular and medical research; unintuitive tools may bar important breakthroughs. This protocol describes two use cases for the CellMap (http://cellmap.protein.properties) web tool. The tool allows researchers to visualize human protein-protein interaction data constrained by protein subcellular localizations. In the simplest form, proteins are visualized on cell images that also show protein-protein interactions (PPIs) through lines (edges) connecting the proteins across the compartments. At a glance, this simultaneously highlights spatial constraints that prot…
MAGA: A Supervised Method to Detect Motifs From Annotated Groups in Alignments
2020
Multiple sequence alignments are usually phylogenetically driven. They are studied in the framework of evolution. But sometimes, it is interesting to study residue conservation at positions unconstrained by evolutionary rules. We present a supervised method to access a layer of information difficult to appreciate visually when many protein sequences are aligned. This new tool (MAGA; http://cbdm-01.zdv.uni-mainz.de/~munoz/maga/ ) locates positions in multiple sequence alignments differentially conserved in manually defined groups of sequences.
Deep neural attention-based model for the evaluation of italian sentences complexity
2020
In this paper, the Automatic Text Complexity Evaluation problem is modeled as a binary classification task tackled by a Neural Network based system. It exploits Recurrent Neural Units and the Attention mechanism to measure the complexity of sentences written in the Italian language. An accurate test phase has been carried out, and the system has been compared with state-of-art tools that tackle the same problem. The computed performances proof the model suitability to evaluate sentence complexity improving the results achieved by other state-of-the-art systems.
Recycling a genre for news automation: The production of Valtteri the Election Bot
2020
Abstract The amount of available digital data is increasing at a tremendous rate. These data, however, are of limited use unless converted into a user-friendly form. We took on this task and built a natural language generation (NLG) driven system that generates journalistic news stories about elections without human intervention. In this paper, after presenting an overview of state-of-the-art technologies in NLG, we explain systematically how we identified and then recontextualized the determinant aspects of the genre of an online news story in the algorithm of our NLG software. In the discussion, we introduce the key results of a user test we carried out and some improvements that these re…
A computational approach for the assessment of executive functions in patients with obsessive-compulsive disorder
2019
Previous studies on obsessive–compulsive disorder (OCD) showed impairments in executive domains, particularly in cognitive inhibition. In this perspective, the use of virtual reality showed huge potential in the assessment of executive functions; however, unfortunately, to date, no study on the assessment of these patients took advantage of the use of virtual environments. One of the main problems faced within assessment protocols is the use of a limited number of variables and tools when tailoring a personalized program. The main aim of this study was to provide a heuristic decision tree for the future development of tailored assessment protocols. To this purpose, we conducted a study that…
GIS Infomobility for Travellers
2016
Geographical Information Systems (GIS) are essential systems to support decisions on territorial and environmental aspects. But they not always have been properly used for this purpose. Only in recent years GIS have been getting better used for the planning, management and control of the territory. The application of GIS to the transport sector has become relevant both for management and decision-making in support of Public Administration (PA) and citizens. GIS are particularly useful for roads and routing graphs management capabilities as well as for searching the most suitable path. The results achieved in this research activity aimed to evaluate different road graphs, proprietary and fre…
A more efficient cutting planes approach for the green vehicle routing problem with capacitated alternative fuel stations
2021
AbstractThe Green Vehicle Routing Problem with Capacitated Alternative Fuel Stations assumes that, at each station, the number of vehicles simultaneously refueling cannot exceed the number of available pumps. The state-of-the-art solution method, based on the generation of all feasible non-dominated paths, performs well only with up to 2 pumps. In fact, it needs cloning the paths between every pair of pumps. To overcome this issue, in this paper, we propose new path-based MILP models without cloning paths, for both the scenario with private stations (i.e., owned by the fleet manager) and that with public stations. Then, a more efficient cutting plane approach is designed for addressing both…
The Chinese Postman Problem with Load-Dependent Costs
2018
[EN] We introduce an interesting variant of the well-known Chinese postman problem (CPP). While in the CPP the cost of traversing an edge is a constant (equal to its length), in the variant we present here the cost of traversing an edge depends on its length and on the weight of the vehicle at the moment it is traversed. This problem is inspired by the perspective of minimizing pollution in transportation, since the amount of pollution emitted by a vehicle not only depends on the travel distance but also on its load, among other factors. We define the problem, study its computational complexity, provide two mathematical programming formulations, and propose two metaheuristics for its soluti…
A stochastic dynamical social model involving a human happiness index
2018
[EN] This paper presents a new human happiness index built through five dimensions: development, freedom, solidarity, justice and peace. These five dimensions are evaluated through quantitative variables obtained from the Human Development Reports, World Data Bank and Eurostat. The new happiness index has been built following the guidelines set by the Human Development Reports of the UN for the construction of quality indices, and it has been compared on a set of 13 EU countries with the Overall Life Satisfaction Index, which is used by the UN. Moreover, the new index has been included in a dynamic mathematical model through the demographic rates to study the evolution of the population. Th…