Highlights of our Work

We are excited to announce the availability of the AMBER force field in VMD/NAMD, enhancing our ability to prepare and run molecular dynamics (MD) simulations with different force fields. Utilizing the PSFGEN file builder, available as a VMD plugin, one can now apply the AMBER force field natively in VMD 1.9.4 without tedious constraints file formatting. This flexibility allows for the study of large systems that were previously impractical to model with AMBER alone. The integration leverages the strengths of AMBER, renowned for its precision in modeling biomolecular systems, and brings it into the VMD and NAMD environment, known for their ability to run large systems efficiently and for their powerful visualization and analysis capabilities. Researchers can now explore complex biomolecular dynamics with unprecedented accuracy and scale, opening new avenues for groundbreaking discoveries in structural biology. More details about AMBER for NAMD can be found in a recent publication in the Journal of Chemical Information and Modeling.

Editorials

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

Quantum Biology and Polyenes-When Theorists and Experimentalists Unite

Starting with a discovery at Harvard in 1971 of a hidden state, Klaus Schulten spent a large portion of his career demystifying the polyenes, versatile molecules central to vision and photosynthesis. By Lisa Pollack. Read more

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Electron transport through peptidesTCBG members on TV newsSparing healthy microbes while using a novel antibioticTajkhorshid receives Beckman Institute Vision and Spirit Award


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