Portfolio & Case Studies

Showcasing our expertise through demo projects, anonymized outputs, and publicly available examples across bioinformatics, AI, analytics, and training.

Bioinformatics Workflows | Docking & MD Examples

Protein-Ligand Docking Pipeline

AutoDock VinaPyMOLDiscovery Studio

Demonstration docking workflow using publicly available protein structures (PDB ID: 1M17) and ligand libraries. Includes binding affinity prediction, pose analysis, and 2D/3D visualization.

Tools: AutoDock Vina, Open Babel, PyMOL, PLIP

Molecular Dynamics Simulation

GROMACSVMDRMSD/RMSF

Anonymized MD simulation of a representative protein-ligand complex (100 ns trajectory). Analysis includes RMSD, RMSF, radius of gyration, and hydrogen bond occupancy using public tutorial datasets.

Tools: GROMACS, VMD, Grace, MDAnalysis

CADD Virtual Screening Workflow

Molecular DockingPharmacophore

Structure-based virtual screening on a target protein (publicly available from ZINC database). Demonstrates hit identification, ADMET prediction, and lead optimization strategy.

SwissDock, PyRx, Schrödinger Maestro (demo)
AI Model Examples | Omics Workflows

Deep Learning for Image Classification

CNNTensorFlowKeras

Publicly available dataset (CIFAR-10/MNIST) used for training a convolutional neural network achieving 92% accuracy. Complete pipeline: preprocessing, augmentation, training, and evaluation.

Python, TensorFlow, OpenCV, Matplotlib

Predictive Modeling for Biomedical Data

Random ForestXGBoost

Anonymized clinical dataset (publicly available from UCI repository) used to predict patient outcomes. Feature importance, model tuning, and performance metrics (AUC, F1-score).

scikit-learn, Pandas, SHAP, Matplotlib

RNA-Seq Omics Analysis Workflow

DESeq2Volcano Plot

Demo RNA-seq differential expression analysis using public dataset (GEO). Includes quality control, read alignment, count normalization, DEG identification, and pathway enrichment.

R, DESeq2, edgeR, clusterProfiler, ggplot2
Statistical Analysis Examples

Regression & Correlation Analysis

SPSSR

Public survey data (e.g., World Bank open data) analyzed using multiple linear regression, logistic regression, and correlation matrices. Complete interpretation report included.

SPSS, R, Jamovi

Thematic Analysis (Qualitative)

NVivoThematic Coding

Anonymized interview transcripts analyzed using NVivo. Demonstrates thematic coding, node hierarchy, and visualizations (word clouds, charts) for qualitative reporting.

NVivo, Dedoose

Data Visualization Dashboards

TableauPower BI

Interactive dashboards using public economic/financial datasets (e.g., IMF, Kaggle). Includes KPI tracking, forecasting, and executive summary reports.

Tableau Public, Power BI, Excel
Scientific Figures

Publication-Ready Graphs

Customized bar charts, line graphs, and scatter plots for research manuscripts.

Protein Structure Visualization

3D molecular renderings with PyMOL and Chimera.

Heatmaps & Correlation Matrices

High-resolution heatmaps for omics and survey data.

AI Model Visualizations

Confusion matrices, ROC curves, and SHAP summary plots.

Training Session Highlights

Bioinformatics Workshop Series

Hands-on50+ Trainees

Live online training covering sequence analysis, docking, and MD simulation. Includes session recordings, assignments, and feedback highlights.

Data Analytics Bootcamp

SPSS/NVivoCapstone Projects

Intensive 4-week program for researchers. Participant projects included real-world survey analysis and qualitative coding.

AI for Research Training

ML/DLPython

University collaboration: 30+ graduate students trained in machine learning for biomedical applications.

Publications
Computational screening of natural compounds against SARS-CoV-2 main protease
AURA Research Team (demo) • Journal of Biomolecular Structure & Dynamics, 2024
DOI: 10.1080/07391102.2024.xxxxx (Public Dataset)
Machine learning approaches for predictive modeling in healthcare outcomes
AURA Analytics • Frontiers in Artificial Intelligence, 2023
Using MIMIC-III public dataset
Transcriptomic analysis of drug resistance mechanisms: A case study
Bioinformatics Unit • Scientific Reports, 2024
Public GEO dataset (GSE123456)
Statistical validation of survey instruments in social science research
Data Analytics Division • MethodsX, 2023
Methodological demonstration using open data

All examples use demo projects, publicly available datasets, or anonymized outputs. No confidential client data is shared.

Our Impact by the Numbers

50+

Research Projects Completed

25+

Peer-Reviewed Publications

500+

Professionals Trained

30+

Institutional Collaborations