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Sponsored AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI AI AM CLAUDE, A Beginner's Guide: Learn the basics of working with AI

Author

Nithyadevi Duraisamy

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Open access Sep 2026

KAN-GIN: Adaptive Nonlinear Molecular Representation Learning for Drug-Target Affinity Prediction

KAN-based post-aggregation transformations represent an emerging design option for graph-based DTA prediction, however, the latent-space and structure-based findings should not be interpreted as evidence of mechanistic biological relevance without prospective experimental validation.

Abla Bedoui, Nithyadevi Duraisamy, Mohammed Cherkaoui · 0 citations
Open access Aug 2026

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

The findings suggest that Lig-1, followed by Lig-3, may serve as promising computational lead compounds targeting SARS-CoV-2 MPro, representing promising candidates for further experimental validation.

Mohd Yasir Khan, Farah Maarfi, A. Shah et al. · 0 citations

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