Related papers: Concurrent interactive visualization and handling …
In the modern drug discovery process, medicinal chemists deal with the complexity of analysis of large ensembles of candidate molecules. Computational tools, such as dimensionality reduction (DR) and classification, are commonly used to…
In many fields of science and technology we are confronted with complex networks. Making sense of these networks often require the ability to visualize and explore their intermingled structure consisting of nodes and links. To facilitate…
Motivation: The visualization and analysis of high-dimensional data are essential in biomedical research. There is a need for secure, scalable, and reproducible tools to facilitate data exploration and interpretation. Results: We introduce…
Custom animated visualizations of large, complex datasets are helpful across many domains, but they are hard to develop. Much of the difficulty arises from maintaining visualization state across many animated graphical elements that may…
Multimodal interfaces are becoming increasingly important with the advent of mobile devices, accessibility considerations, and novel software technologies that combine diverse interaction media. This article investigates systems support for…
Liquid Chromatography Mass Spectrometry (LC-MS) is an indispensable analytical technique in proteomics, metabolomics, and other life sciences. While OpenMS provides advanced open-source software for MS data analysis, its complexity can be…
The canonical analytics architecture today consists of a browser connected to a backend in the cloud. In all deployments that we are aware of, the browser is simply a dumb rendering endpoint. As an alternative, this paper explores…
The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…
In this manuscript, we propose to expand the use of scientific repositories such as Zenodo and HEP Data, in particular in order to better examine multi-parametric solutions of physical models. The implementation of interactive web-based…
In this paper, we discuss the physical web projects based on network proximity for Smart Cities. In general, the Physical Web is an approach for connecting any physical object to the web. With this approach, we can navigate and control…
We introduce SmartControllerJS, a new JavaScript library for fast, cost-effective designing of web applications controlled via everyday smartphones. At its core, SmartControllerJS establishes a connection between two webpages, one page…
Developing complex, real world graphics applications which leverage multiple GPUs and computers for interactive 3D rendering tasks is a complex task. It requires expertise in distributed systems and parallel rendering in addition to the…
Concurrent linearizable access to shared objects can be prohibitively expensive in a high contention workload. Many applications apply ad-hoc techniques to eliminate the need of synchronous atomic updates, which may result in…
This paper proposes a novel visual model for web applications security monitoring. Although an automated intrusion detection system can shield a web application from common attacks, it usually cannot detect more complicated break-ins. So, a…
A web application prototype is described, aimed at the generation of synthetic seismograms for user-defined earthquake models. The web application graphical user interface hides the complexity of the underlying computational engine, which…
Mediated by today's visual displays, information space allows users to discover, access and interact with a wide range of digital and physical information. The information presented in this space may be digital, physical or a blend of both,…
With the prospect of automating a number of chemical tasks with high fidelity, chemical language processing models are emerging at a rapid speed. Here, we present a cloud-based real-time platform that allows users to virtually screen…
Far-UV circular dichroism (CD) spectroscopy provides a rapid, sensitive, nondestructive tool to analyze protein conformation by monitoring secondary structure composition. Originally intended for educational purposes, a spreadsheet-based…
For almost a century, since Bernal\'s attempts at a molecular theory of liquid structure(Bernal [1]), correlation functions have been the bridge to compare theoretical calculations with experimental measurements in the study of disordered…
The ability to precisely visualize the atomic geometry of the interactions between a drug and its protein target in structural models is critical in predicting the correct modifications in previously identified inhibitors to create more…