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0342269173
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note
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The molecular mechanics calculations have been performed using the AMBER all-atom force field and the AMBER4.0 programs. A detailed description of the computational procedure can be found in reference 6.
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15
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0342704347
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note
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While insufficient for a quantitative prediction of binding affinities, interaction energies from molecular mechanics are particularly important to describe and compare the strenght of local interactions of ligands with protein residues of the binding site.
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16
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0343574496
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note
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The biochemical assays were performed on highly purified bovine lens ALR2 using D,L-glyceraldehyde as substrate (the details of the procedure are in reference 6).
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17
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