Research Themes
Core areas where I focus my research efforts
Molecular Dynamics Simulations
Developing automated pipelines and tools for molecular dynamics simulations, PCA analysis, and Free Energy Landscape calculations to understand protein behavior and biomolecular mechanisms.
Genomics & Sequence Analysis
Building tools for DNA/RNA sequence analysis, genome annotation, and variant calling to facilitate genomic research and personalized medicine.
Protein Structure Prediction
Leveraging deep learning models like AlphaFold and Boltz for accurate protein structure prediction and understanding protein-ligand interactions.
Drug Discovery & Design
Applying computational methods for virtual screening, molecular docking, and ADMET prediction to accelerate the drug discovery pipeline. Utilizing GPU-accelerated tools like Uni-Dock for high-throughput screening.
Bioinformatics Tool Development
Creating open-source, user-friendly tools that democratize access to computational biology methods for researchers worldwide.
Machine Learning in Biology
Applying machine learning and AI techniques to biological data for pattern recognition, prediction, and classification tasks.
Ongoing Projects
Current research initiatives and development work
GRAVITy Project
An automated pipeline for GROMACS that streamlines molecular dynamics simulations. Features include system setup automation, protein structure rectification, parameterization, production runs, and post-simulation trajectory analysis with an integrated GUI and 3D molecular visualization.
Boltz2-Notebook
A streamlined Colab-based pipeline for protein structure prediction and binding affinity analysis using the Boltz2 deep learning model. Features an interactive UI and automated analysis capabilities for researchers.
Genome Inspector
A comprehensive DNA sequence analysis tool available as both desktop application (BioPython-based GUI) and web application. Performs transcription, translation, reverse complement, GC content analysis, melting temperature calculation, and more.
Future Projects
Continuously exploring new ideas at the intersection of biology and computation. Areas of interest include multi-omics integration, single-cell analysis pipelines, and AI-driven drug discovery tools.
Research Approach
How I approach computational biology problems
Problem Identification
Identify gaps in current bioinformatics tools and methodologies that hinder research progress, focusing on real-world usability challenges.
Literature Review & Analysis
Comprehensive review of existing solutions, understanding their limitations, and identifying opportunities for improvement or innovation.
Design & Development
Design user-centric solutions with clean interfaces, robust algorithms, and comprehensive documentation. Emphasize reproducibility and accessibility.
Validation & Testing
Rigorous testing with benchmark datasets, comparison with existing tools, and validation against experimental data when possible.
Open Source Release
Release tools as open-source with comprehensive documentation, enabling global researchers to use, modify, and contribute to the project.
Open to Collaboration
I'm always interested in collaborating on research projects, tool development, or innovative ideas at the intersection of biology and computer science. Let's work together to advance scientific discovery.
Start a Conversation View Publications