My lab develops simulations of chemical reactions and biological signaling pathways that shape cardiac and immune function at the molecular through cellular scales. Our tools include computer vision and numerical algorithms, molecular simulations, and applied mathematics to bridge molecular-scale physical chemistry with chemical phenomena that emerge at much larger length scales. Among our interests, our approaches address general questions including
• Can the functions of Ca 2+ handling proteins be predicted and redesigned in silico? 
• How do intracellular signaling networks respond to environmental and subcellular queues? 
• How do molecular interactions in materials govern and respond to transport phenomena at sub-micron
and longer length-scales? 
In answering these questions, we are pursuing our long term goal of understanding how biological signaling pathways are controlled at the molecular through cellular levels, how they are perturbed in disease and how
they could be safely modulated through small molecules and protein engineering.   Additional information on specific research themes may be found on our Research page. 

Our research is currently supported through the National Institutes of Health, NASA and the Petroleum Research Fund. 

Follow us on Twitter - @PKH_Lab

 

Peter M. Kekenes-Huskey, Ph.D.
ASSISTANT PROFESSOR
DEPARTMENT OF CHEMISTRY

GRADUATE FACULTY IN CHEMICAL ENGINEERING
UNIVERSITY OF KENTUCKY 


From the Blog

Today Dylan presented at the University of Kentucky's College of Health Sciences Muscle Forum. He presented on work over cardiac calcium dysregulation models and their predictions in changes in hypertrophic gene trancription for diabetic mice. This work brings together lots of the lab's projects, from image processing to calcium compartment models. This was made possible by the hard work of all members in the lab. Congrats everyone!
Our first work on calcium cascade via P2X channels in microglia has been accepted. This work is considered as a stepstone computational modeling of calcium signaling that leads to downstream kinetics such as calcium-buffer interactions, NFAT cycle, phosphorylation of p38, and transcriptive protein synthesis such as TNF-alpha.  For more information, click here or copy and past this: ...
Dylan has been selected as one of this year's USTiCR trainees to present at the 2018 Cardiovascular Research Day on September 21st. He will be presenting his work on the 2D and 3D automated classification of cardiomyocyte tubule system which he developed alongside Ryan Blood! Congrats, Dylan!
Bin Sun's paper: "Electrostatic control of calcineurin's intrinsically-disordered regulatory domain binding to calmodulinbeen" has been accepted for publication in BBA - General Subjects
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