Highlights of our Work
The latest NAMD 3.0 releases provide GPU-resident molecular dynamics simulation support for external forces, now including Colvars and Tcl Forces. This support allows users to take advantage of a great variety of additional forces in their GPU-accelerated simulations and free energy calculations. The Colvars (collective variables) module and Tcl Forces scripting both provide mechanisms to define external forces between groups of atoms, allowing control over specific structural features during a simulation to enable the study of complex biomolecular processes and interactions. These valuable capabilities are now available from within NAMD's fastest simulation mode.

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

Computer Modeling in Bionanotechnology-The History

Since 2001 Illinois scientists have innovatively used molecular dynamics to simulate biological molecules combined with nanodevices. It turns out that the computational microscope is the quintessential imaging tool for these bionano systems. By Lisa Pollack. Read more


Research Programmer PositionAI and Molecular Sciences2024 Computational Biophysics WorkshopDouble HPCWire awards for Hyun



  • 11 Mar 2024 - Giovanni M. Pavan

  • Remembering Klaus Schulten

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