Geometry-based sampling of conformational transitions in proteins.

Daniel Seeliger1, Jürgen Haas, Bert L de Groot

  • 1Computational Biomolecular Dynamics Group, Max-Planck-Institute for Biophysical Chemistry, Am Fassberg 11, 37077 Göttingen, Germany.

Summary

We introduce tCONCOORD, a computational method for predicting protein flexibility and conformational changes. This tool efficiently samples protein movements, aiding in understanding biological processes like enzyme activity and ligand binding.

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