Deborah K. Shoemark

This study identifies a novel allosteric pocket in RhoJ and shows that terconazole binds to it, disrupting its interaction with PAK3.

This study investigates how disease-causing mutations and ivacaftor affect CFTR protein dynamics using molecular simulations and cryo-EM data.

This study investigates how the BriS{Delta} variant of SARS-CoV-2 affects spike structure, function, and infectivity across different cell types.

This paper designs peptides that self-assemble into nanoparticles or sheets based on disulfide bond placement, using computational modeling and microscopy.

The paper models SARS-CoV-2 Mpro substrate and ligand binding to identify new inhibitor opportunities through computational analysis of binding interactions.

This paper designs de novo protein-protein interfaces to control biomolecular interactions in E. coli, demonstrating their ability to guide engineered protein-DNA interactions and modulate gene expression.