We apply and develop multi-scale simulations of chemical reactions and biological signaling pathways, particularly those regulated by calcium. Our tools include molecular and Brownian dynamics, ordinary and partial differential equations, as well as multi-scale approaches for integrating molecular-scale information into macroscopic chemical phenomena. Among our interests, we are addressing questions including how protein function can be predicted and manipulated, how chemical processes including signal transduction are controlled by their environment and how biological systems can inform material design.  To answer these questions, we focus on the interplay between molecular-scale events, such as protein-ligand (or drug) binding, and cellular-scale signaling pathways arising from interactions between proteins, that shape human health. Our long term goal is thus to understand how biological signaling pathways are controlled at the cellular level, how they are perturbed in disease and identify molecular strategies to restore normal function.  Additional information on specific research themes may be found on our Research page. 

Our research is currently supported through the National Institutes of Health. 


Peter M. Kekenes-Huskey, Ph.D.

From the Blog

tested by Ben
PKH lab receives NIH R35 MIRA award to support multi-scale modeling of calcium signaling (UK Now).   
We had a farewell party for Amir Kucharski before he heads to WUSTL for his MD/Ph.D. Thanks to everyone who attended!  
Angela worked with our group last spring, during which she developed common pool and Gillespie simulations of ryanodine receptor activation. Great work!