Background: Dr. Denise Okafor studies the molecular mechanisms of allosteric regulation in nuclear receptors (ligand-regulated transcription factors). Ligands binding to the nuclear receptor ligand binding domain induce long-range allosteric activation of the DNA binding domain to produce transcriptional outcomes. The mechanisms by which these two domains coordinate to achieve ligand-specific outcomes is poorly understood. Furthermore, little is known about how different ligands modulate nuclear receptor structure and dynamics for selective co-regulator recruitment and distinct biological outcomes. The Okafor Lab combines molecular dynamics simulations with biophysical and biochemical experiments to understand the structural mechanisms of signaling and regulation in protein complexes.
Originally published at chemistry.nd.edu.