Research Article
Conformational Search on the Lewis X Structure by Molecular Dynamic: Study of Tri- and Pentasaccharide
Table 1
Potential Energy, torsional angles for the conformers with low energies of the trisaccharide Lewis X.
| | PE (kcal/mol) | (°) | (°) | (°) | (°) |
| Conformer 1 | −5446.95 | −61.84 | 124.7 | −61.54 | −104.33 | Conformer 2 | −5442.50 | −84.91 | 155.63 | −69.95 | −92.95 | Conformer 3 | −5440.08 | −80.60 | 139.25 | −55.46 | −98.51 | Conformer 4 | −5437.12 | −56.58 | 130.28 | −59.61 | −80.28 |
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