Computational Workflow

A computational workflow is a structured sequence of data-processing and analysis steps that transforms raw information into reproducible scientific results. It typically combines data input, quality control, preprocessing, computational analysis, and interpretation, with each stage producing outputs that guide the next and can be documented for repeatability. In immunology and infection research, workflows help organize genomic, transcriptomic, proteomic, or clinical datasets to characterize immune responses, identify pathogen-associated patterns, and compare disease states or treatment conditions. Well-designed workflows improve analytical consistency, reveal relationships that may be difficult to detect manually, and support transparent validation of findings across studies.

Computational Workflow - Related Videos

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JoVE Journal - Chemistry
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A Bilingual Computational Workflow for Identifying Potential PLK1 Inhibitors in American Sign Language and English

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2026

This bilingual protocol provides a computational drug discovery workflow assessing protein-ligand interactions of Polo-Like Kinases 1 to 3 (PLK1–3) and Absorption, Distribution, Metabolism, Excretion, Toxicity, and Stability (ADMET-S) properties of database-sourced natural molecules.

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JoVE Journal - Biology
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A Quantitative Fitness Analysis Workflow

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Cited by 25 •

2012

Quantitative Fitness Analysis (QFA) is a complementary series of experimental and computational methods for estimating microbial culture fitnesses. QFA estimates the effect of genetic mutations, drugs or other applied treatments on microbe growth. Experiments scaling from focussed analysis of single cultures to thousands of parallel cultures can be designed.

Research

JoVE Journal - Engineering

Integrating Automated Simulation Workflows with 3D Visualization for Virtual Experiments in the Metaverse

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2026

A generalized, FAIR-compliant method is presented for domain-expert researchers seeking to integrate simulation and data-processing tools into automated workflows for 3D virtual experiments. A neutronics example demonstrates setting up a local Galaxy instance, wrapping OpenMC and file-conversion tools, launching workflows from Omniverse, and visualizing the converted 3D outputs.

Navigating the Mass Spectrometry-Based Proteomic Data Using Free Computational Tools

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2025

Mass spectrometry-based proteomic data is available in open databases and accessible using free tools. Given the complexity of database searches and descriptions, many biologists lack the knowledge to utilize these datasets. Here, we provide a guide on using free tools for basic proteomic data searches.

Protease- and Acid-catalyzed Labeling Workflows Employing 18O-enriched Water

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Cited by 2 •

2013

Stable isotope labeling workflows employing 18O-enriched water (LeO-workflows) are versatile tools for quantitative and qualitative proteomics studies. In protease-assisted (PALeO) workflows, 18O-atoms are introduced by proteolytic cleavage and carboxyl oxygen exchange reactions mediated by proteases. In the acid-catalyzed (ALeO) workflow, 18O-atoms are introduced by carboxyl oxygen exchange at low pH.

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