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Conformational analysis of two glycoproteins: a Monte Carlo simulated annealing approach using a soft-sphere
1Institute of Physical Chemistry, Peking University, Beijing, People's Republic of China.
Carbohydrate Research
|April 18, 1996
Abstract:
The Monte Carlo simulated annealing method was effectively used to predict the three-dimensional structure of the carbohydrate part of two glycoproteins: 1 vsg and 2 fbj from a protein data bank, utilizing a soft-sphere potential. The result was compared both to the crystal structure and to the structure of the corresponding isolated oligosaccharide structure simulated using an ECEPP/2 force field. A good agreement with crystal structure was reached. The interaction with the protein environment was found to significantly influence the structure of the carbohydrate moiety.