Water and Ion Dynamics in Protein Solvation Shells

Structural Bioinformatics › Molecular Dynamics Trajectory Analysis

Water and Ion Dynamics in Protein Solvation Shells

Interns will analyze trajectory data to study water molecule behavior, hydration shell dynamics, and ion interactions around proteins and active sites. They will calculate residence times, diffusion coefficients, and characterize how solvation influences protein stability and reactivity.

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