Sayyah E

No ORCID on file · 1 paper in corpus

2026

Targeting BCL-2 through Deep Learning-Based Drug Repurposing: A Multimodal Approach Combining Diffusion-Based Generative Modeling, Neural Relational Inference, and In Vitro Validation.

Journal of chemical information and modeling ·doi:10.1021/acs.jcim.6c01299

Accurate identification of repurposable BCL-2 ligands requires not only plausible bound complex structures but also a dynamic description of how ligand binding reshapes residue-level communication. Here, we present a multimodal BCL-2 repurp…