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As a consequence, one might expect a decline in diastereoselectivity because the "normal" and "flipped" binding modes are equally accessible; however, our experiments show almost exclusively formation of the (R/S -product 4, suggesting a cleaR/S -product for the "normal" enzyme–substrate interactions.
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Although the low energy binding modes are prevalent no significant clustering was observed again suggesting no specificity in binding.
These binding modes are sensitive to salt, temperature, pH, and binding density (Lohman and Ferrari, 1994).
To determine whether secondary TF-DNA binding modes are conserved, we compared secondary modes of binding between TFs in several structural families.
To ensure that all possible binding modes were explored, early termination of the docking run as a consequence of multiple solutions with the same binding mode was disabled.
The probable mechanisms and the proposed binding modes were discussed.
These binding modes were subsequently confirmed by X-ray crystallography.
The observation that monoclonal antibodies can use multiple binding modes is intriguing.
The rmsd of different docked ligand at the ligand binding modes is given in Table S4.
Ligand binding modes were analyzed using LigandScout 3 software (www.inteligand.com).
Depeche Mode were equally inspired.
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