Structural Stability and Flexibility Assessment through RMSF and B-factor Correlations

Structural Bioinformatics › Molecular Dynamics Trajectory Analysis

Structural Stability and Flexibility Assessment through RMSF and B-factor Correlations

Interns will calculate root mean square fluctuation (RMSF), compare MD-derived B-factors with experimental crystallography data, and identify flexible regions in protein structures. They will correlate dynamics with functional importance and predict allosteric sites based on trajectory-derived mobility patterns.

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