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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

Maria Arnittali

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Open access Oct 2026

Assessing sequence reversal effects on coiled-coil stability using AI-based structure prediction and enhanced sampling atomistic simulations.

This study investigates the impact of sequence inversion on the structural integrity and thermodynamic stability of the wtRop protein, a prototypical coiled-coil motif. We utilized AI-driven structure prediction (ColabFold) to generate initial models for the unknown rRop sequence, which yielded both parallel and antipa...

Maria Arnittali, E. Markopoulou, V. Harmandaris et al. · 0 citations

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