Welcome to the Grabe Lab!

Using computation to reveal membrane protein function

 

We use an array of computational approaches to probe the structure and function of membrane proteins. Our methods range from all atom molecular dynamics simulations to continuum mechanics and ordinary differential equations. We are interested in understanding how ion channels and transporters operate on the single molecule level, how they work in concert to regulate intracellular ion concentrations, and how membrane proteins interact with the membrane to sculpt cellular morphology.

Ion channel & transporter function

 
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Membrane-protein interactions

 

Small molecule binding