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Mohd Saeed

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Open access Aug 2026

Multiclass Machine Learning-Based Discovery of Novel Scaffold Inhibitors Targeting ALK

This integrated ML-to-simulation workflow prioritizes structurally novel candidate hits with predicted ALK inhibitory activity and provides an effective strategy for scaffold discovery and hit prioritization.

José Zarzuelo Romero, M. López-Viota, M. Haque et al. · 0 citations
Jul 2026

Designing triazine-based nucleoside analogues as promising SARS-CoV-2 main protease inhibitors: a molecular modeling study

Structurally optimized triazine-based nucleoside analogues are identified as potential SARS-CoV-2 Mpro inhibitors and the utility of an integrated computational strategy for the rational design and prioritization of antiviral candidates for further experimental validation is demonstrated.

Madhu Sudan, Sarika Arora, Mohd Saeed et al. · 0 citations