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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 and the Petroleum Research Fund. 


Peter M. Kekenes-Huskey, Ph.D.

From the Blog

Congrats to Darin Vaughan for winning this year's Regional Undergraduate Poster Competition. Dylan Colli and Ryan Blood also showcased their research results in UK's Showcase of Undergraduate Scholars earlier in the week.   
Chuck Adeniran received the Lyman T Johnson Fellowship as well as was nominated for the 'Fast Start' award for his scholastic achievements within his first year of study.  Pete Kekenes-Huskey was named Faculty Mentor of the Week and was nominated for the Faculty Mentor of the Year Award
Congrats to Bin Sun for receiving his 2nd RCFT Fellowship!
Ryan Blood enthusiastically announced that Notre Dame has extended him the offer of a Notebaert Fellowship. Through this offer he will have five years of funding to pursue a degree in chemical and biological engineering. Congrats!