ArticleBiophysical journal2008
Molecular dynamics studies of polyethylene oxide and polyethylene glycol: hydrodynamic radius and shape anisotropy.
Article in Biophysical journal, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 95 papers.
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Who cites it
95 citing papers in PubMed.
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- Response to the Comment "On Determination of Force on Bead-Surface Linker Proteins" by Rasool Dezhkam and Cheng Zhu (smll.202510363).Small (Weinheim an der Bergstrasse, Germany) · 2026Article
- Surface Reconstruction in Hydrated Amphiphilic Block Copolymer Thin Films Probed by Fluid Cell Atomic Force Microscopy.Macromolecules · 2026Article
- Additive Manufacturing of Molecular Architecture Encoded Stretchable Polyethylene Glycol Hydrogels and Elastomers.Advanced materials (Deerfield Beach, Fla.) · 2026Article
- Simultaneous Holographic Molecular Binding Assays with Internal Calibration Standards.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- Exploring Diffusion and Aggregation Behaviors in Carbohydrate Solutions.The journal of physical chemistry. B · 2026Article
- Repulsive vs Attractive Crowding Distinctly Regulate TDP-43 Condensates through Region-specific Structural Dynamics.JACS Au · 2025Article
- Quantifying the Influence of Poly(Ethylene glycol) on the Micelle Formation of Nonionic Detergents.ChemPlusChem · 2025Article
- Polymeric and Polymer-Functionalized Drug Delivery Vectors: From Molecular Architecture and Elasticity to Cellular Uptake.Polymers · 2025Review
- An electrochemical proximity assay (ECPA) for antibody detection incorporating flexible spacers for improved performance.Analytical and bioanalytical chemistry · 2024Article
- Molecular insights into the interactions between PEG carriers and drug molecules from Celastrus hindsii: a multi-scale simulation study.Scientific reports · 2024Article
- Article
- Diffusiophoresis in Polymer and Nanoparticle Gradients.The journal of physical chemistry. B · 2024Article
- Parameterization of the miniPEG-Modified γPNA Backbone: Toward Induced γPNA Duplex Dissociation.Journal of chemical theory and computation · 2023Article
- Varying molecular interactions explain aspects of crowder-dependent enzyme function of a viral protease.PLoS computational biology · 2023Article
- Amplified EQCM-D detection of extracellular vesicles using 2D gold nanostructured arrays fabricated by block copolymer self-assembly.Nanoscale horizons · 2023Article
- Extension of the TraPPE Force Field for Battery Electrolyte Solvents.The journal of physical chemistry. B · 2023Article
- Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.Nature communications · 2023Article
- Molecular understanding of NiProceedings of the National Academy of Sciences of the United States of America · 2023Article
35 more citing papers are in PubMed but not listed here.
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Authors and funding
4 authors.
Funding
Abstract
A revision (C35r) to the CHARMM ether force field is shown to reproduce experimentally observed conformational populations of dimethoxyethane. Molecular dynamics simulations of 9, 18, 27, and 36-mers of polyethylene oxide (PEO) and 27-mers of polyethylene glycol (PEG) in water based on C35r yield a persistence length lambda = 3.7 A, in quantitative agreement with experimentally obtained values of 3.7 A for PEO and 3.8 A for PEG; agreement with experimental values for hydrodynamic radii of comparably sized PEG is also excellent. The exponent upsilon relating the radius of gyration and molecular weight (R(g) proportional, variantM(w)(upsilon)) of PEO from the simulations equals 0.515 +/- 0.023, consistent with experimental observations that low molecular weight PEG behaves as an ideal chain. The shape anisotropy of hydrated PEO is 2.59:1.44:1.00. The dimension of the middle length for each of the polymers nearly equals the hydrodynamic radius R(h)obtained from diffusion measurements in solution. This explains the correspondence of R(h) and R(p), the pore radius of membrane channels: a polymer such as PEG diffuses with its long axis parallel to the membrane channel, and passes through the channel without substantial distortion.
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