期刊
BIOPHYSICAL JOURNAL
卷 91, 期 10, 页码 3579-3588出版社
BIOPHYSICAL SOCIETY
DOI: 10.1529/biophysj.105.079236
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- Engineering and Physical Sciences Research Council [EP/C528336/1] Funding Source: researchfish
The extension of 1-6 polysaccharides has been studied in a series of recent single molecule AFM experiments. For dextran, a key finding was the existence of a plateau in the force-extension curve at forces between 700 and 1000 pN. We studied the extension of the dextran 10-mer under constant force using atomistic simulation with various force fields. All the force fields reproduce the experimental plateau on the force-extension curve. With AMBER94 and AMBER-GLYCAM04 force fields the plateau can be explained by a transition of the glucopyranose rings in the dextran monomers from the chair (C-4(1)) to the inverted chair (C-1(4)) conformation while other processes occur at smaller (rotation around C5-C6 bond) or higher (chairs to boat transitions) forces. The CHARMM force field provides a different picture which associates the occurrence of the plateau to chair-boat transitions of the glucopyranose rings.
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