Theoretical and Computational Biophysics

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

Latest news

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    Eight projects awarded funding for AI research to mitigate COVID-19

    Diwakar Shukla-web
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    Dissecting the mechanism of protein unfolding by SDS

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    Computational human cell reveals new insight on genetic information processing

    From left, Zan Luthey-Schulten, Martin Gruebele and Zhaleh Ghaemi
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    Understanding differences in streptavidin-biotin binding

    The protein structures of strepavidin binding to biotin
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    Team deciphers how myotonic dystrophy generates lethal heart dysfunctions

    Research team picktured: from left, bioengineering professor Lawrence Dobrucki, postdoctoral fellow Jamila Hedhli, biochemistry professor Auinash Kalsotra, graduate student Sushant Bangru, research scientist Chaitali Misra and graduate student Kin Lam.