ArticleBiophysical journal2004
Molecular dynamics simulations of forced conformational transitions in 1,6-linked polysaccharides.
Article in Biophysical journal, 2004. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed, 66 citations in OpenAlex.
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- Predicting the Structures of Glycans, Glycoproteins, and Their Complexes.Chemical reviews · 2018Review
- The Role of Single-Molecule Force Spectroscopy in Unraveling Typical and Autoimmune Heparin-induced Thrombocytopenia.International journal of molecular sciences · 2018Review
- Can Dissipative Properties of Single Molecules Be Extracted from a Force Spectroscopy Experiment?Biophysical journal · 2016Article
- Nanomechanics of β-rich proteins related to neuronal disorders studied by AFM, all-atom and coarse-grained MD methods.Journal of molecular modeling · 2014Article
- Chains are more flexible under tension.Macromolecules · 2010Article
- Theory of Biopolymer Stretching at High Forces.Macromolecules · 2010Article
- Equilibrium sampling for biomolecules under mechanical tension.Biophysical journal · 2010Article
- Fructan and its relationship to abiotic stress tolerance in plants.Cellular and molecular life sciences : CMLS · 2009Review
- Entropy and barrier-controlled fluctuations determine conformational viscoelasticity of single biomolecules.Biophysical journal · 2007Article
- Conformational transitions in single polymer molecules modeled with a complete energy landscape: continuous two-state model.The European physical journal. E, Soft matter · 2007Article
- Molecular dynamics simulation of dextran extension by constant force in single molecule AFM.Biophysical journal · 2006Article
- Simulating force-induced conformational transitions in polysaccharides with the SMD replica exchange method.Biophysical journal · 2006Article
- Direct detection of the formation of V-amylose helix by single molecule force spectroscopy.Journal of the American Chemical Society · 2006Article
- Sub-angstrom conformational changes of a single molecule captured by AFM variance analysis.Biophysical journal · 2006Article
- Inferring the diameter of a biopolymer from its stretching response.Biophysical journal · 2005Article
Corrections and comments
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Authors and funding
5 authors at 1 institution in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Recent atomic force microscopy stretching measurements of single polysaccharide molecules suggest that their elasticity is governed by force-induced conformational transitions of the pyranose ring. However, the mechanism of these transitions and the mechanics of the pyranose ring are not fully understood. Here we use steered molecular dynamics simulations of the stretching process to unravel the mechanism of forced conformational transitions in 1,6 linked polysaccharides. In contrast to most sugars, 1,6 linked polysaccharides have an extra bond in their inter-residue linkage, C5-C6, around which restricted rotations occur and this additional degree of freedom increases the mechanical complexity of these polymers. By comparing the computational results with the atomic force microscopy data we determine that forced rotations around the C5-C6 bond have a significant and different impact on the elasticity of alpha- and beta-linked polysaccharides. Beta-linkages of a polysaccharide pustulan force the rotation around the C5-C6 bonds and produce a Hookean-like elasticity but do not affect the conformation of the pyranose rings. However, alpha-linkages of dextran induce compound conformational transitions that include simultaneous rotations around the C5-C6 bonds and chair-boat transitions of the pyranose rings. These previously not-recognized transitions are responsible for the characteristic plateau in the force-extension relationship of dextran.
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