Welcome to the Bowman lab!
We combine computer simulations and experiments to understand the mechanisms of allostery (i.e. long-range communication between different parts of a protein) and then exploit this insight to control proteins’ functions with drugs and mutations. Examples of ongoing projects include (1) understanding how mutations give rise to antibiotic resistance, (2) designing allosteric drugs to combat antibiotic resistant infections, (3) understanding allosteric networks in G proteins and designing allosteric anti-cancer drugs, and (4) understanding and interfering with the mechanisms of Ebola infection. To rapidly converge on predictive models, we iterate between using simulations to gain mechanistic insight, conducting our own experimental tests of our models, and refining our simulations/analysis based on feedback from experiments. We also develop enhanced sampling algorithms for modeling rare events that are beyond the reach of existing simulation methodologies.