Abhigna N U

Computational Biologist and Bioinformatics Scientist with 6+ years of experience in structural bioinformatics, cheminformatics, molecular modeling, and computer-aided drug discovery (CADD). Expertise in protein structure analysis, molecular docking, molecular dynamics simulations, binding pocket characterisation, and protein–ligand interaction profiling for therapeutic target discovery. Skilled in Python-based workflow automation, biological database integration, and structure-based drug design using tools including GROMACS, AutoDock, AutoDock Vina, AlphaFold2, HADDOCK, PyMOL, and RDKit.

Experienced in collaborating across biology and computational research teams to support translational research and therapeutic discovery workflows. Interested in integrating biological reasoning with computational approaches to support structure- and ligand-based drug discovery workflows.

Bioinformatics Freelancer (Part-time / Project-based) at Remote (2025-01 – Present)

• Analysed SELEX-NGS datasets for aptamer discovery workflows, including sequence preprocessing, enrichment analysis, and motif identification.
• Conducted RNA sequence analysis and computational screening to identify high-affinity aptamer candidates for downstream experimental validation.
• Performed protein–RNA interaction analysis, molecular docking, and binding affinity evaluation to support aptamer-target characterisation.
• Processed FASTQ-level NGS datasets using reproducible computational workflows in Linux-based environments.
• Collaborated with researchers on biological interpretation, scientific reporting, and the development of computational analysis strategies.
• Applied cheminformatics and structural bioinformatics approaches to assess biomolecular interactions and evaluate targets.

Senior Research Fellow (CSIR-SRF) at JSS Academy of Higher Education & Research (JSS AHER), Mysuru (2022-01 – 2026-12)

Department of Biotechnology & Bioinformatics

• Led end-to-end computational drug discovery and target identification workflows integrating genomics, systems biology, cheminformatics, and molecular modeling approaches.
• Designed and executed CADD workflows involving molecular docking using AutoDock Vina, Desmond, molecular dynamics simulations using Gromacs, binding-site analysis, and protein–ligand interaction profiling to support hit identification and lead prioritisation.
• Developed scalable Python- and Linux-based computational pipelines for biological and chemical data processing, workflow automation, and reproducible downstream analysis.
• Conducted post-docking analysis, binding energy evaluation, and molecular interaction profiling to prioritise compounds for therapeutic targeting and experimental validation.
• Investigated microbial therapeutic targets (cutC/cutD genes) associated with cardiovascular disease using genomics datasets, pathway analysis, and systems biology approaches.
• Integrated computational modeling with experimental validation strategies involving sequence analysis, primer design, and microbial gene characterisation.
• Performed target discovery and biological interpretation using multi-omics datasets, functional enrichment analysis, and disease pathway mapping.
• Conducted large-scale molecular simulations using HPC infrastructure and cloud computing platforms, including AWS and Google Colab.
• Applied cheminformatics methods using RDKit for molecular representation, descriptor analysis, and chemical data preprocessing.
• Maintained scientific documentation, technical reports, and computational records aligned with reproducibility and data integrity principles.
• Collaborated with interdisciplinary teams across bioinformatics, microbiology, molecular biology, and computational sciences to support translational research initiatives.
• Mentored students and junior researchers in bioinformatics tools, molecular modelling workflows, Python scripting, and computational data analysis.
• Contributed to scientific publications, patents, software development, and technical reporting activities.

Junior Research Fellow (CSIR-JRF) at CSIR-CFTRI, Mysuru (2020-01 – 2022-12)

• Designed computational strategies for aptamer-based biosensor development, leading to a published patent for SARS-CoV-2 detection.
• Modelled protein–ligand and aptamer–protein interactions using molecular docking and molecular dynamics simulations using AutoDock Vina.
• Conducted comparative genomics and phylogenetic analysis of viral datasets for diagnostic and therapeutic research applications.
• Integrated computational and experimental methodologies for translational research involving bioinformatics, molecular biology, and microbiology.
• Collaborated with multidisciplinary scientific teams to support data interpretation, workflow development, and technical reporting.

PhD in Bioinformatics – JSS Academy of Higher Education & Research, Mysuru (2022-01 – 2026-12)

MSc in Bioinformatics – JSS Academy of Higher Education & Research, Mysuru

BSc in Biochemistry, Microbiology & Biotechnology – University of Mysore