A comprehensive computational biology approach to understanding and developing treatments for G6PD deficiency.
Running 100ns simulations to visualize how G6PD mutations affect protein stability and dynamics at the atomic level. Analyzing RMSD, RMSF, and hydrogen bond networks to understand variant pathogenicity.
Leveraging DeepMind's AlphaFold predictions to analyze G6PD protein structure, identify critical functional domains, and understand how mutations affect enzyme stability and NADP+ binding.
Comprehensive mapping of 217+ known G6PD variants with structural annotations, clinical severity classifications, geographic distributions, and predicted functional impacts.
Exploring gene editing strategies for correcting G6PD mutations. Analyzing guide RNA design, delivery methods, and the path from sickle cell disease success (Casgevy) to potential G6PD applications.