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This paper investigates the role of conformational heterogeneity in ligand recognition by viral RNA molecules, specifically focusing on the TAR RNA from HIV-1. Through molecular dynamics simulations, the authors demonstrate that ligand binding stabilizes the TAR RNA structure, reducing fluctuations and enabling the formation of binding pockets. The findings highlight the importance of conformational dynamics in RNA for drug design targeting viral infections.
- Author
- aliyu adnan
- Language
- EN