Highlights of our Work

Made with VMD and CellPAINT
The human body produces its weight of ATP every day. This universal currency of energy in biology is produced by the powerhouse of the cell, the mitochondrion. It is then shipped into the cytoplasm of the cell to fuel a myriad of enzymes and biochemical processes ranging from combustion of sugar molecules to neuronal excitation and muscle movement. Interaction of the glycolytic enzyme hexokinase-II (HKII) with the mitochondrial ATP channel VDAC1 regulates the metabolism of the cell. This interaction is amplified in many cancer cells, leading to faster glycolysis and cell growth and proliferation. Simulations performed by the Center's software combining molecular dynamics NAMD and Brownian dynamics ARBD show the central role of the membrane in binding of these proteins, which in turn regulates mitochondrial permeability with direct implications in mitochondria-mediated cell death. Read more in Communications Biology.

The Future of Biomolecular Modeling

A 2015 TCBG Symposium brought together scientists from across the Midwest to brainstorm about what's on the horizon for computational modeling. See a summary of what these experts foresee. Read more

VMD Illuminated

The software program VMD is a visualization and analysis tool that goes where no microscope can. Trace the trajectory of its development over the last two decades. By Lisa Pollack. Read more


Cell's Energy Secrets Revealed with SupercomputersNIH Director's Blog – Visualizing Neurons with VMDInterdisciplinary Illinois Research Team Discovers a Molecular Spring Switch in Breast Cancer2021 Beckman Institute Research Image Contest winners announced



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