Research Article
Conformational Search on the Lewis X Structure by Molecular Dynamic: Study of Tri- and Pentasaccharide
Table 2
Potential energy, torsional angles for the conformers with low energies of the pentasaccharide Lewis X.
| | PE (kcal/mol) | (°) | (°) | (°) | (°) | (°) | (°) | (°) | (°) |
| Conformer 1 | −10191.15 | −78.30 | −97.88 | −124.4 | 64.97 | −108.27 | −173.37 | −57.54 | 15.18 | Conformer 2 | −10162.71 | −65.65 | −106.09 | −73.57 | 136.95 | −52.97 | −155.29 | −71.26 | 22.90 | Conformer 3 | −10162.25 | −56.49 | −112.26 | −78.58 | 144.67 | −55.95 | −157.92 | −69.85 | 23.71 | Conformer 4 | −10152.28 | −71.67 | −108.12 | −75.73 | 152.13 | −73.72 | −163.60 | −74.94 | 18.04 |
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