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Author
Sánchez Carcelén, María
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The main objective of this study is to identify the preferential binding mode of the lactose ligand on the surface of the lacto-N-biosidase enzyme, by means of molecular dynamics simulations.
The specific objectives of this study are:
1. To evaluate the stability of the enzyme lacto-N-biose in the absence and in the presence of the ligands lactose and lacto-N-biose.
2. Evaluate the stability of the lactose ligand at different binding sites on the surface of the lacto-N-biosidase enzyme.
3. Define a preferred binding mode of the lactose ligand to the lacto-N-biosidase enzyme by analyzing interactions of the lactose ligand with the enzyme and with the other lacto-N-biose ligand.
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