A. Alruwetei

Cracking ERα Y537S Resistance: Explainable Machine Learning-Guided Discovery and Molecular Dynamics Validation of Stable Candidate Ligands

Background/Objectives: Endocrine resistance due to activating mutations in the estrogen receptor alpha (ERα), especially Y537S, is still a big challenge in the treatment of hormone receptor-positive breast cancer, and there is a need to develop new small-molecule inhibitors that can overcome ligand-independent receptor...