Molecular Dynamics Simulations of the NF-κB Inducing Kinase:
By Joshua Yue
I began researching how mutations occur within cells. I focused on using computational chemistry techniques to advance the study of cancer prevention by analyzing protein kinases for therapeutics. I chose to study the NF-kappaB protein family because dysregulation of the NF-kappaB pathway has been linked to various cancers and autoimmune diseases. After reading literature about the protein family, I discovered that the NF-kappaB pathway is composed of two paths. I learned that, while the classical pathway is well-known, the alternative pathway is not. NIK, the NF-kappaB Inducing Kinase, plays a central role in this pathway, so I decided to employ molecular dynamics simulations to study NIK. I chose to use molecular dynamics simulations since they enhance the ability to analyze NIK at the molecular level, which offers important insight into its structure-behavior properties. Read More