ArticleBiophysical journal2006
Molecular dynamics simulation of dextran extension by constant force in single molecule AFM.
Article in Biophysical journal, 2006. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Atomistic Insights into Conformations and Solvation Dynamics of Amylose, Dextran, and Pullulan Using Three Force Fields.The journal of physical chemistry. B · 2026Article
- A Molecular Dynamics Simulation of Complexes of Fullerenes and Lysine-Based Peptide Dendrimers with and without Glycine Spacers.International journal of molecular sciences · 2024Article
- Molecular Dynamics of Lysine Dendrigrafts in Methanol-Water Mixtures.International journal of molecular sciences · 2023Article
- Hybrid Molecules Consisting of Lysine Dendrons with Several Hydrophobic Tails: A SCF Study of Self-Assembling.International journal of molecular sciences · 2023Article
- Size and Structure of Empty and Filled Nanocontainer Based on Peptide Dendrimer with Histidine Spacers at Different pH.Molecules (Basel, Switzerland) · 2021Article
- Filtration of Elastic Polymers and Spherical Gels through a Silica-Deposited Layer on a Porous Membrane.Membranes · 2020Article
- Why the Orientational Mobility in Arginine and Lysine Spacers of Peptide Dendrimers Designed for Gene Delivery Is Different?International journal of molecular sciences · 2020Article
- Article
- Lysine Dendrigraft Nanocontainers. Influence of Topology on Their Size and Internal Structure.Pharmaceutics · 2018Article
- CHARMM: the biomolecular simulation program.Journal of computational chemistry · 2009Review
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Authors and funding
4 authors.
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No grant is acknowledged in the PubMed record.
Abstract
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 ((4)C(1)) to the inverted chair ((1)C(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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