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Open access Oct 2026

Mapping Functional Transitions across Protein Homologues from a Single Simulation: Application of gEDES-HM to Adenylate Kinases

Proteins fluctuate across different conformational states, which constitute a dynamic ensemble that regulates their interaction networks and functions. Predicting the conformational landscape remains a computational challenge, and even more difficult is capturing the link between state distributions and specific func...

Han Kurt, Mohd Athar, Andrea Basciu et al. · 0 citations

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