Nithyadevi Duraisamy

4PUBLICATIONS
5CO-AUTHORS
Biomolecular modelling and designMedical virologyAnimal protection (incl. pests and pathogens)Cheminformatics and quantitative structure-activity relationships
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Publications (4)

|Sep 26, 2026
KAN-GIN: Adaptive Nonlinear Molecular Representation Learning for Drug-Target Affinity Prediction.

|Sep 15, 2026
Identification of Potential SARS-CoV-2 Main Protease (MPro) Inhibitors Through Pharmacophore Modeling, Molecular Docking, and Molecular Dynamics Simulation Approaches.

|Aug 27, 2026
Immunoinformatics-Guided Computational Design and In Silico Validation of Multi-Epitope Vaccine Candidates Targeting Canine and Feline Parvoviruses.

|Mar 28, 2026
Computational Insights into Flavonoids for ADAMTS-5 Exosite Inhibition in Knee Osteoarthritis: Docking, MD Simulations, and Machine Learning-Guided Structure Prediction.

Mayurakkhi Bhatia, Nithyadevi Duraisamy, Mohammed Cherkaoui

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Frequent Collaborators

2 joint publications

Mohd Yasir Khan

2 joint publications

Maged Gomaa Hemida

1 joint publications

Mayurakkhi Bhatia

1 joint publications

Farah Maarfi