Theoretical and Computational Biophysics

Visualizing molecular systems

Advances in the nanoscale description of molecular-level phenomena affect nearly all areas of biological and biomedical sciences. Success in key areas like molecular medicine, rational drug design, and new bio-inspired materials hinges on technologies that allow access to highly detailed biological information. Tools that probe, visualize, and simulate molecular systems and processes are indispensable.

Simulation of membrane fusion
Simulation of the the extrinsic coagulation complex, a membrane-bound complex, which forms as part of the blood clotting process

The Theoretical and Computational Biophysics Group pioneers the development of computational technologies and tools enabling computer-based biomedical research of molecular and cellular processes.

The group makes emerging technologies available and develops powerful simulation tools for biomolecular and whole-cell processes related to human health and disease. The group is known for its open-source NAMD and VMD software, used by more than 150,000 researchers around the world.

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Group leader

  • Emad Tajkhorshid

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