Clinical heterogeneity remains a major challenge across human diseases, where patients with similar genetic backgrounds frequently exhibit striking differences in disease progression, therapeutic response and clinical outcome. Increasing evidence indicates that these differences cannot be explained by genetic variation...
Shahper Nazeer Khan, Danishuddin, Salamatu Tijjani Isah et al.· Biomolecules· 0 citations
Biomedical Digital Twins (DTs) are emerging as a significant concept in precision health and drug discovery, enabling dynamic, high-resolution representations of patients through the real-time integration of multimodal datasets. While most studies focus on organ or patient-level models, accurate prediction of drug resp...
Danishuddin, M. Haque, G. Madhukar et al.· Biotechnology Advances· 0 citations
The study identifies LY2784544 and Pimobendan as potential antiviral agents for Mpro, given their stability, strong binding energy (BE) profiles, and existing clinical data, these compounds warrant additional experimental validation to determine their potential efficacy against SARS-CoV-2.
M. Alam, Lina I. Alnajjar, Tarun Kumar Upadhyay et al.· Journal of King Saud Univers...· 0 citations
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.
M. Haque, Q. M. Jamal, K. Ahmad et al.· Pharmaceuticals· 0 citations
A strong virtual screening pipeline involving ML with support of molecular docking, MD simulations, and free energies analysis to discover potential virtual Sphk1 inhibitors is presented.
Mohammad Aslam, Danishuddin, Sajad Ali et al.· Journal of King Saud Univers...· 0 citations
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