What is it about?
We report a fast method for simulating dense protein solutions at the all-atom level and, as an important application, calculate small-angle scattering profiles from these simulations. Our approach solves the challenging problem of extracting valuable information on protein-protein interactions from small-angle scattering profiles.
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Why is it important?
Small-angle scattering is a uniquely powerful technique for probing the internal structures of proteins and interprotein interactions. Significant resources have been dedicated worldwide to collecting small-angle scattering data. However, extracting interprotein interactions from small-angle scattering data has remained a major challenge. Our work has now solved this challenge.
Perspectives
This work was long in the making. At the end, the solution was simple and the results were surprisingly good.
Huan-Xiang Zhou
University of Illinois at Chicago
Read the Original
This page is a summary of: Fast calculation of small-angle scattering profiles of dense protein solutions modeled at the all-atom level, Proceedings of the National Academy of Sciences, September 2025, Proceedings of the National Academy of Sciences,
DOI: 10.1073/pnas.2519265122.
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