Author

Mohammed Cherkaoui

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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 · Pharmaceuticals · 0 citations

Open access Sep 2026

VentrEX: An Anatomically Guided Deep Learning Pipeline for Ventricular Segmentation in Cine Cardiac MRI

Automated segmentation of the left and right ventricles (LVs and RVs) in cine cardiac MRI (CMR) underpins reliable volumetry and mass estimation. However, papillary muscles and trabeculae (PM/T) introduce clinically meaningful variability and exacerbate cross-dataset domain shift. We present VentrEX, an anatomically gu...

Abla Bedoui, Julieta Anahí Rancati, Ignacio Lugones et al. · Journal of Imaging · 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. · International Journal of Mol... · 0 citations