Highlights of our Work
Alzheimer's disease (AD) causes slow and inescapable depletion of neurons in the brain, which leads to the characteristic loss of memory and cognitive function. At a molecular level, AD is caused by aggregation of amyloid-beta (Aβ) protein, however the exact mode of toxicity has remained elusive and highly debated. Inspired by a novel atomic structure of Aβ, and complementary experiments and simulations with NAMD, we report a new mechanism of toxicity for Aβ aggregates. The simulations reveal that Aβ aggregates can perforate the membranes of neurons, compromise their integrity, and consequently trigger their death via the formation of water pores in them. Read more in Nature Communications.

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

A Look Ahead

The Urbana NIH Center previews what it will propose for the 2017-2022 funding cycle. By Lisa Pollack. Read more


Sticky Business: tethering geometry and protein stabilitySimulation reveals how bacterial organelle converts sunlight to chemical energyNAMD used to predict behavior of Protein ComplexesGiuseppe Licari, honorable mention recipient of the Beckman Image Contest



  • 22 Oct 2020 - Gerhard Hummer
  • 26 Oct 2020 - Daniel Zuckerman
  • 02 Nov 2020 - Ulrich Kleinekathoefer

  • Remembering Klaus Schulten

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