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Single-point energies were calculated on the optimized geometries using the B97X-D hybrid functional 87 and the 6-311 + G(2d,p) basis set with ultrafine integration grids for the QM part and the ff14SB, gaff2 and TIP3P force fields for the MM part (protein, substrate and water, respectively) with electrostatic embedding

This process, known as PARylation, is essential for efficient DNA repair through both base excision repair and double-strand break repair pathways

Phytomedicine 73, 152808

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Supports Joint Comfort, Bone Strength and Mobility Collagen is a key component of cartilage and connective tissue