Daniel John Rigden

This paper introduces helical ensembles as improved search models for molecular replacement, achieving a 30% increase in solutions and faster convergence compared to ideal helices.

The paper investigates sequence and structural differences between HLA-B alleles associated with anti-thyroid drug-induced agranulocytosis and control alleles to identify molecular mechanisms.

This study evaluates four molecular docking programs to assess their ability to predict drug-HLA interactions for known adverse drug reactions, finding variable accuracy and highlighting limitations of homology models and receptor flexibility.