Search results for "soft"
showing 10 items of 9809 documents
Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations.
2017
We present a new approach that incorporates flexibility based on extensive MD simulations of protein-ligand complexes into structure-based pharmacophore modeling and virtual screening. The approach uses the multiple coordinate sets saved during the MD simulations and generates for each frame a pharmacophore model. Pharmacophore models with the same pharmacophore features are pooled. In this way the high number of pharmacophore models that results from the MD simulation is reduced to only a few hundred representative pharmacophore models. Virtual screening runs are performed with every representative pharmacophore model; the screening results are combined and rescored to generate a single hi…
CLOVE: classification of genomic fusions into structural variation events
2017
Background A precise understanding of structural variants (SVs) in DNA is important in the study of cancer and population diversity. Many methods have been designed to identify SVs from DNA sequencing data. However, the problem remains challenging because existing approaches suffer from low sensitivity, precision, and positional accuracy. Furthermore, many existing tools only identify breakpoints, and so not collect related breakpoints and classify them as a particular type of SV. Due to the rapidly increasing usage of high throughput sequencing technologies in this area, there is an urgent need for algorithms that can accurately classify complex genomic rearrangements (involving more than …
HIPPIE v2.0: Enhancing meaningfulness and reliability of protein-protein interaction networks
2016
The increasing number of experimentally detected interactions between proteins makes it difficult for researchers to extract the interactions relevant for specific biological processes or diseases. This makes it necessary to accompany the large-scale detection of protein-protein interactions (PPIs) with strategies and tools to generate meaningful PPI subnetworks. To this end, we generated the Human Integrated Protein-Protein Interaction rEference or HIPPIE (http://cbdm.uni-mainz.de/hippie/). HIPPIE is a one-stop resource for the generation and interpretation of PPI networks relevant to a specific research question. We provide means to generate highly reliable, context-specific PPI networks …
Complete chromogen separation and analysis in double immunohistochemical stains using Photoshop-based image analysis.
1998
Simultaneous detection of two different antigens on paraffin-embedded and frozen tissues can be accomplished by double immunohistochemistry. However, many double chromogen systems suffer from signal overlap, precluding definite signal quantification. To separate and quantitatively analyze the different chromogens, we imported images into a Macintosh computer using a CCD camera attached to a diagnostic microscope and used Photoshop software for the recognition, selection, and separation of colors. We show here that Photoshop-based image analysis allows complete separation of chromogens not only on the basis of their RGB spectral characteristics, but also on the basis of information concernin…
A novel community driven software for functional enrichment analysis of extracellular vesicles data
2017
Bioinformatics tools are imperative for the in depth analysis of heterogeneous high-throughput data. Most of the software tools are developed by specific laboratories or groups or companies wherein they are designed to perform the required analysis for the group. However, such software tools may fail to capture "what the community needs in a tool". Here, we describe a novel community-driven approach to build a comprehensive functional enrichment analysis tool. Using the existing FunRich tool as a template, we invited researchers to request additional features and/or changes. Remarkably, with the enthusiastic participation of the community, we were able to implement 90% of the requested feat…
High-Performance Biocomputing in Synthetic Biology-Integrated Transcriptional and Metabolic Circuits
2019
Biocomputing uses molecular biology parts as the hardware to implement computational devices. By following pre-defined rules, often hard-coded into biological systems, these devices are able to process inputs and return outputs-thus computing information. Key to the success of any biocomputing endeavor is the availability of a wealth of molecular tools and biological motifs from which functional devices can be assembled. Synthetic biology is a fabulous playground for such purpose, offering numerous genetic parts that allow for the rational engineering of genetic circuits that mimic the behavior of electronic functions, such as logic gates. A grand challenge, as far as biocomputing is concer…
An android architecture for bio-inspired honest signalling in Human-Humanoid Interaction
2017
Abstract This paper outlines an augmented robotic architecture to study the conditions of successful Human-Humanoid Interaction (HHI). The architecture is designed as a testable model generator for interaction centred on the ability to emit, display and detect honest signals. First we overview the biological theory in which the concept of honest signals has been put forward in order to assess its explanatory power. We reconstruct the application of the concept of honest signalling in accounting for interaction in strategic contexts and in laying bare the foundation for an automated social metrics. We describe the modules of the architecture, which is intended to implement the concept of hon…
Analysis of low-correlated spatial gene expression patterns: A clustering approach in the mouse brain data hosted in the Allen Brain Atlas
2018
The Allen Brain Atlas (ABA) provides a similar gene expression dataset by genome-scale mapping of the C57BL/6J mouse brain. In this study, the authors describe a method to extract the spatial information of gene expression patterns across a set of 1047 genes. The genes were chosen from among the 4104 genes having the lowest Pearson correlation coefficient used to compare the expression patterns across voxels in a single hemisphere for available coronal and sagittal volumes. The set of genes analysed in this study is the one discarded in the article by Bohland et al. , which was considered to be of a lower consistency, not a reliable dataset. Following a normalisation task with a global and …
Boosting Action Observation and Motor Imagery to Promote Plasticity and Learning
2018
Neural Plasticity, 2018
Assessing data analysis performance in research contexts: An experiment on accuracy, efficiency, productivity and researchers’ satisfaction
2018
[EN] Any knowledge generation process involves raw data comprehension, evaluation and inferential reasoning. These practices, common to different disciplines, are known as data analysis, and represent the most important set of activities in research contexts. Researchers use data analysis software methods and tools for generating new knowledge in their daily data analysis. In recent years, data analysis software has been incorporating explicit references in modelling of cognitive processes, in order to improve the assistance offered in data analysis tasks. However, data analysis software commercial suites are still resisting this inclusion, and there is little empirical work done in knowing…