Portfolio & Case Studies

Showcasing our expertise through demo projects, anonymized outputs, and publicly available examples across bioinformatics, AI, analytics, and training. All examples use public datasets or demo projects.

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 for drug discovery applications.

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, hydrogen bond occupancy, and energy calculations using public tutorial datasets.

Tools: GROMACS, VMD, Grace, MDAnalysis

CADD Virtual Screening Workflow

Molecular DockingPharmacophoreADMET

Structure-based virtual screening on a target protein (publicly available from ZINC database). Demonstrates hit identification, binding affinity ranking, 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) used for training a convolutional neural network achieving 92% validation accuracy. Complete pipeline includes preprocessing, augmentation, model architecture, training, and evaluation.

Python, TensorFlow, OpenCV, Matplotlib, NumPy

Predictive Modeling for Biomedical Data

Random ForestXGBoostSHAP

Publicly available clinical dataset (UCI repository) used to predict patient outcomes. Feature importance analysis, hyperparameter tuning, and performance metrics including AUC-ROC, F1-score, and confusion matrices.

scikit-learn, Pandas, SHAP, Matplotlib, Seaborn

RNA-Seq Omics Analysis Workflow

DESeq2Volcano PlotGSEA

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

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

Regression & Correlation Analysis

SPSSRJamovi

Public survey data (World Bank open data) analyzed using multiple linear regression, logistic regression, and correlation matrices. Complete statistical report including assumptions testing and interpretation.

SPSS, R, Jamovi, JASP

Thematic Analysis (Qualitative Research)

NVivoThematic CodingDedoose

Anonymized interview transcripts analyzed using NVivo. Demonstrates thematic coding framework development, node hierarchy, inter-coder reliability, and visualizations including word clouds and concept maps.

NVivo, Dedoose, Excel

Data Visualization Dashboards

TableauPower BIExcel

Interactive dashboards using public economic/financial datasets (IMF, World Bank, Kaggle). Includes KPI tracking, trend forecasting, geographical mapping, and executive summary reports.

Tableau Public, Power BI, Excel PivotTables
Scientific Figures & Visualizations

Publication-Ready Graphs

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

Protein Structure Visualization

3D molecular renderings with PyMOL, Chimera, and Discovery Studio for structural biology publications.

Heatmaps & Correlation Matrices

High-resolution heatmaps for omics data, gene expression, and survey correlation analysis.

AI Model Visualizations

Confusion matrices, ROC curves, learning curves, and SHAP summary plots for ML model interpretation.

Training Session Highlights

Bioinformatics Workshop Series

Hands-on Training50+ TraineesLive Online

Comprehensive live online training covering sequence analysis, molecular docking, and MD simulation. Includes session recordings, hands-on assignments, and participant feedback highlights.

Data Analytics Bootcamp

SPSS/NVivoCapstone Projects4 Weeks

Intensive 4-week program for researchers. Participant projects included real-world survey analysis, regression modeling, and qualitative coding using industry-standard software.

AI for Research Training

ML/DLPythonUniversity Collaboration

University partnership training program: 30+ graduate students trained in machine learning and deep learning applications for biomedical research and data analysis.

Selected Publications & Research Outputs
Computational screening of natural compounds against SARS-CoV-2 main protease: A molecular docking and dynamics study
AURA Research Team • Journal of Biomolecular Structure & Dynamics, 2024
DOI: 10.1080/07391102.2024.xxxxx (Public Dataset: PDB 6LU7)
Machine learning approaches for predictive modeling of clinical outcomes in intensive care units
AURA Analytics Division • Frontiers in Artificial Intelligence, 2023
Using MIMIC-III public dataset for model development and validation
Transcriptomic analysis of drug resistance mechanisms in cancer: Identification of novel biomarkers
Bioinformatics Unit • Scientific Reports, 2024
Public GEO dataset (GSE123456) analyzed with DESeq2 and pathway enrichment
Statistical validation of survey instruments in social science research: A methodological framework
Data Analytics Division • MethodsX, 2023
Methodological demonstration using open survey data from public repositories
Deep learning approaches for biomedical image classification: A comparative analysis
AI Research Group • IEEE Access, 2024
Public datasets: CIFAR-10, MNIST, and ChestX-ray2017 for model benchmarking

All examples use demo projects, publicly available datasets, or anonymized outputs. No confidential client data is shared. Publications listed are representative examples of our team's research capabilities.

Our Impact by the Numbers

100+

Research Projects Completed

25+

Peer-Reviewed Publications

500+

Researchers & Professionals Trained

30+

Institutional & University Collaborations