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Anuja Jain
Alumnus

Anuja Jain

PhD Scholar

RolesPhD (Alumni) · Postdoc (Alumni)

Research topicMolecular oncology of head and neck cancer and whole-genome drug-resistance prediction in Mycobacterium.

CurrentlyFebruary 2026 to current - ANRF-NPDF at Department of Biochemistry, Indian Institute of Science, Bangalore.

Education and Previous affiliationPh.D. Computational Biology & Bioinformatics, SCIS, JNU
M.Sc. Bioinformatics, Banasthali University, Rajasthan
B.Sc. Biotechnology, Devi Ahilya Vishwavidyalaya, Indore

I am working on peptide therapeutics, which hold great promise for future drug discovery against critical diseases such as cancer, diabetes, and cardiovascular disorders. Although peptides offer high specificity and therapeutic potential, toxicity and ADMET-related challenges often limit their clinical success. Since conventional experimental toxicity assessment is reliable but time-consuming and resource-intensive, there is a need for efficient computational approaches. Therefore, I am developing a web-based application for peptide toxicity prediction that integrates multiple data modalities. The proposed framework combines protein large language models (LLMs) for sequence-based features, graph neural networks (GNNs) for structural information, and deep learning models incorporating gene expression data to improve prediction accuracy, interpretability, and mechanistic understanding, ultimately accelerating peptide therapeutic development.