Highlights of our Work
The hyperactivity of RAS proteins is associated with tumor progression, invasion, and metastasis in many forms of cancer. RAS proteins must directly interact with the membrane to activate their signaling targets, but the complexity and dynamics of such interactions continue to defy experimental characterization. In a multi-institute collaboration, combining NMR with multi-μs MD simulations with NAMD, and neutron reflectometry, we developed for the first time how a membrane-binding protein domain interacts with and penetrates the surface of the cell at full atomic detail. Analysis of the simulations in VMD revealed that the protein adopts multiple forms on the membrane in a lipid-dependent manner. More details can be found in a recent publication 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

NAMD History: The Drama

In the 1980s Klaus Schulten let two students build him a supercomputer. This risky project, and a 1990s student revolt, led to NAMD. Now with 50,000 users worldwide, this article charts the colorful history of NAMD. By Lisa Pollack. Read more


Tajkhorshid receives Beckman Institute Vision and Spirit AwardElectrified PeptidesResearch Programmer PositionAI and Molecular Sciences



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