Highlights of our Work
Collective Variables (COLVARS) are an indispensable component of modern molecular simulations allowing one to execute enhanced sampling and free energy calculations along complex reaction coordinates. The Collective Variables Dashboard allows for real-time, seamless exploration of molecular structures and trajectories. It arises from the integration of the COLVARS Module with VMD, augmented with a graphical interface offering interactive workflows for the design and analysis of collective variables. The Dashboard allows a priori design of collective variables for simulations as well as analysis of any type of simulation trajectories. In addition, it provides an efficient way to intuitively explore the space of likely collective variables, validate them on existing data, and use the resulting collective variable definitions directly for additional simulations. Finally, it visualizes the energies and forces to help analyze or plan simulations. Learn more about the Dashboard in a recent article, through a 5-minute video, or this lecture.

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

Magnetic Sense of Birds

How do birds sense magnetic fields? Theoretical and computational biology may provide tools to unearth the answer. Researchers are combining behavioral studies with physics and chemistry to unlock the enigma of this sixth sense. By Lisa Pollack Read more


Targeting Lipid-protein interactions to fight cancerGoing After LipidsMultiple VMD/NAMD research programmer positions availableUI News:Spike Protein Flexibility Enhanced by Post-translational Modifications in Human Cells



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