Temperature-Dependent Dynamics and End-State Comparison of a Protein Mutant
Graphical abstract
Summary
This case compares RMSD, RMSF, radius of gyration, SASA and end-state conformations for a protein mutant under two temperature conditions. The graphical abstract shows differences in global fluctuations, local flexibility and structural compactness, together with temperature-associated secondary-structure features in the final snapshots. These results provide a focused basis for conformational prioritisation and subsequent structural review.
Computational results
Computational Results
RMSD, RMSF, radius of gyration and SASA across the two trajectories jointly reveal differences in global fluctuations, local flexibility and structural compactness.
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