Large-scale protein conformational transitions revealed by weighted ensemble simulations and EPR

Key Points

• The research aims to explore large-amplitude protein conformational changes and their detection methods.
• Utilized electron paramagnetic resonance (EPR) spectroscopy to detect conformational changes.
• Employed weighted ensemble simulations for detailed protein dynamics analysis.
• Measured distances between site-directed spin labels to assess conformational states.
• Identified significant conformational transitions in proteins critical for cellular activities.
• Demonstrated that EPR can capture large-scale changes, although lacking atomic-level insight.
• Provided evidence supporting the relationship between protein dynamics and cellular function.