Manal A. Nael

This paper uses molecular dynamics to study the PRDX1-sulfiredoxin repair intermediate, revealing water-mediated interactions and interface stability.

The paper evaluates methods for predicting α2-adrenergic subtype selectivity, finding that molecular size is the primary factor, and introduces controls to improve benchmark reliability.

The paper constructs an atlas of opioid receptor structures across ligands and transducers, revealing rewiring patterns and hydration features without identifying causal mechanisms.

This paper introduces a framework to stratify pharmacological data by action type and assay readout, improving QSAR model validity for opioid receptors.