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 1−5446.95−61.84124.7−61.54−104.33
Conformer 2−5442.50−84.91155.63−69.95−92.95
Conformer 3−5440.08−80.60139.25−55.46−98.51
Conformer 4−5437.12−56.58130.28−59.61−80.28