Search results for "Computation"
showing 10 items of 7362 documents
MOESM5 of Global mapping of randomised trials related articles published in high-impact-factor medical journals: a cross-sectional analysis
2020
Additional file 5. List of excluded articles.
PyCellBase, an efficient python package for easy retrieval of biological data from heterogeneous sources.
2019
Background Biological databases and repositories are incrementing in diversity and complexity over the years. This rapid expansion of current and new sources of biological knowledge raises serious problems of data accessibility and integration. To handle the growing necessity of unification, CellBase was created as an integrative solution. CellBase provides a centralized NoSQL database containing biological information from different and heterogeneous sources. Access to this information is done through a RESTful web service API, which provides an efficient interface to the data. Results In this work we present PyCellBase, a Python package that provides programmatic access to the rich RESTfu…
Ligand-based discovery of novel trypanosomicidal drug-like compounds: In silico identification and experimental support
2010
Abstract Two-dimensional bond-based linear indices and linear discriminant analysis are used in this report to perform a quantitative structure–activity relationship study to identify new trypanosomicidal compounds. A database with 143 anti-trypanosomal and 297 compounds having other clinical uses, are utilized to develop the theoretical models. The best discriminant models computed using bond-based linear indices provides accuracies greater than 90 for both training and test sets. Our models identify as anti-trypanosomals five out of nine compounds of a set of already-synthesized substances. The in vitro anti-trypanosomal activity of this set against epimastigote forms of Trypanosoma cruzi…
Coincident glutamatergic depolarizations enhance GABAA receptor-dependent Cl- influx in mature and suppress Cl- efflux in immature neurons.
2021
The impact of GABAergic transmission on neuronal excitability depends on the Cl--gradient across membranes. However, the Cl--fluxes through GABAA receptors alter the intracellular Cl- concentration ([Cl-]i) and in turn attenuate GABAergic responses, a process termed ionic plasticity. Recently it has been shown that coincident glutamatergic inputs significantly affect ionic plasticity. Yet how the [Cl-]i changes depend on the properties of glutamatergic inputs and their spatiotemporal relation to GABAergic stimuli is unknown. To investigate this issue, we used compartmental biophysical models of Cl- dynamics simulating either a simple ball-and-stick topology or a reconstructed CA3 neuron. Th…
Principal component analysis on molecular descriptors as an alternative point of view in the search of new Hsp90 inhibitors
2009
Inhibiting a protein that regulates multiple signal transduction pathways in cancer cells is an attractive goal for cancer therapy. Heat shock protein 90 (Hsp90) is one of the most promising molecular targets for such an approach. In fact, Hsp90 is a ubiquitous molecular chaperone protein that is involved in folding, activating and assembling of many key mediators of signal transduction, cellular growth, differentiation, stress-response and apoptothic pathways. With the aim to analyze which molecular descriptors have the higher importance in the binding interactions of these classes, we first performed molecular docking experiments on the 187 Hsp90 inhibitors included in the BindingDB, a pu…
An open-source computational and data resource to analyze digital maps of immunopeptidomes
2015
We present a novel mass spectrometry-based high-throughput workflow and an open-source computational and data resource to reproducibly identify and quantify HLA-associated peptides. Collectively, the resources support the generation of HLA allele-specific peptide assay libraries consisting of consensus fragment ion spectra, and the analysis of quantitative digital maps of HLA peptidomes generated from a range of biological sources by SWATH mass spectrometry (MS). This study represents the first community-based effort to develop a robust platform for the reproducible and quantitative measurement of the entire repertoire of peptides presented by HLA molecules, an essential step towards the de…
Increasing the Coverage of Medicinal Chemistry-Relevant Space in Commercial Fragments Screening
2014
Analyzing the chemical space coverage in commercial fragment screening collections revealed the overlap between bioactive medicinal chemistry substructures and rule-of-three compliant fragments is only ∼25%. We recommend including these fragments in fragment screening libraries to maximize confidence in discovering hit matter within known bioactive chemical space, while incorporation of nonoverlapping substructures could offer novel hits in screening libraries. Using principal component analysis, polar and three-dimensional substructures display a higher-than-average enrichment of bioactive compounds, indicating increasing representation of these substructures may be beneficial in fragment …
Latviešu valodas izrunas datormodelēšana
2005
'How Might Students engage with broader cultural questions relating to the circulation consumption, censorship, and reception of Decadent texts?'
2022
This paper explores the distribution of ‘Decadence’ ‘France’ ‘Decadent’ ‘French’ in British newspapers between 1890 and 1899 by relying on britishnewspaperarchive.co.ok It shows how the adjective was variously used in different contexts and how French Decadence was considered between 1880 and 1900.Not all 'decadence'/'decadent' was Decadent.Conversely exploring 'Décadence' in French periodicals yields different results but both digital repositories used in this research show that the noun was first used in a historical context.
Iterative Symmetry Detection: Shrinking vs. Decimating Patterns
2005
This paper introduces a new mechanism that consists of applying a symmetry operator on an iteratively transformed version of the input image. The nature of the transformation characterizes the operator. Here, we consider the Object Symmetry Transform combined with the morphological operator erosion and the pyramid decimation respectively. The derived operators have been applied on both binary and gray levels images, comparing their ability to grasp the internal structure of a digital object. We present some experiments to evaluate their performances and check them for result quality versus computing complexity.