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Glycosidic torsion angle fluctuations

There has been considerable discussion about whether or not solvent water causes an increase or a decrease in the fluctuations in the glycosidic torsional angles during MD simulations relative to what would be observed in vacuum simulations. It would appear that the answer to this question is somewhat force field dependent, since various simulations have produced contradictory results. Most disaccharide simulations... [Pg.2613]

Figure 4 The correlation function for fluctuations in the glycosidic torsion angle of fi-maltose as calculated from MD simulations of the molecule in vacuo. The spectral density of this function is shown in the inset. Reprinted from Ref. 41 by permission from the American Chemical Society... Figure 4 The correlation function for fluctuations in the glycosidic torsion angle <j> of fi-maltose as calculated from MD simulations of the molecule in vacuo. The spectral density of this function is shown in the inset. Reprinted from Ref. 41 by permission from the American Chemical Society...
See other pages where Glycosidic torsion angle fluctuations is mentioned: [Pg.271]    [Pg.2613]    [Pg.271]    [Pg.2613]    [Pg.267]    [Pg.314]    [Pg.315]    [Pg.2613]    [Pg.266]    [Pg.116]    [Pg.711]    [Pg.711]    [Pg.182]    [Pg.2618]   
See also in sourсe #XX -- [ Pg.4 , Pg.2613 ]



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