The conformation and dynamics of α-(1→2)-mannobioside, α-(1→6)-mannobioside, and of the trisaccharide α-Man-(1→2) -α-Man-(1→6)-α- Man-OMe were studied using Monte Carlo/stochastic dynamics (MC/SD) simulations, the AMBER* force field, and the GB/SA implicit water solvation model. The results are in agreement with available experimental data.
Conformational Analysis and Dynamics of Mannobiosides and Mannotriosides Using Monte Carlo / Stochastic Dynamics Simulations / A. Bernardi, A. Colombo, I. Sánchez-Medina. - In: CARBOHYDRATE RESEARCH. - ISSN 0008-6215. - 339:5(2004), pp. 967-973.
Conformational Analysis and Dynamics of Mannobiosides and Mannotriosides Using Monte Carlo / Stochastic Dynamics Simulations
A. BernardiPrimo
;A. ColomboSecondo
;
2004
Abstract
The conformation and dynamics of α-(1→2)-mannobioside, α-(1→6)-mannobioside, and of the trisaccharide α-Man-(1→2) -α-Man-(1→6)-α- Man-OMe were studied using Monte Carlo/stochastic dynamics (MC/SD) simulations, the AMBER* force field, and the GB/SA implicit water solvation model. The results are in agreement with available experimental data.
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