From the 1 of 7 linked papers with an AI index.
7 papers
From real polymers to random graphs: percolation thresholds in associative polymer solutions
Xinxiang Chen, Lennart Hebestreit, Friederike Schmid
The paper combines molecular dynamics simulations with random graph models to show how geometry and topology affect gelation thresholds in associative polymer solutions, highlighti…
From Heteropolymer Stiffness Distributions to Effective Homopolymers: A Conformational Analysis of Intrinsically Disordered Proteins
Yannick Witzky, Friederike Schmid, Arash Nikoubashman
Synthetic copolymers and biopolymers, such as polypeptides and double-stranded DNA, often exhibit strong variations in bending stiffness along their contour, which can significantl…
A kinetic model to simulate charge flow through an electrochemical half cell
Diego Veloza-Diaz, Friederike Schmid, Robinson Cortes-Huerto +2
A kinetic model of the electron transfer at the electrode / electrolyte solution interface is developed, implemented in a Monte Carlo framework, and applied to simulate this proces…
Micelle Forming Linear-Dendritic Block Copolymers: A Theoretical Comparison between Random Hyperbranched and Precise Dendrimer Polymer Architectures
Marios Giannakou, Oleg V. Borisov, Friederike Schmid
Hyperbranched block copolymers offer a simpler and more efficient synthesis route compared to more traditional dendritic systems, while still providing exceptional control over sur…
Sol-gel transition in heteroassociative RNA-protein solutions: A quantitative comparison of coarse-grained simulations and the Semenov-Rubinstein theory
Xinxiang Chen, Jude Ann Vishnu, Pol Besenius +2
Protein RNA-binding domains selectively interact with specific RNA sites, a key interaction that determines the emergent cooperative behaviors in RNA-protein mixtures. Through mole…
Structure and Dynamic Evolution of Interfaces between Polymer Solutions and Gels and Polymer Interdiffusion: A Molecular Dynamics Study
Jude Ann Vishnu, Torsten Gereon Linder, Sebastian Seiffert +1
Letting free polymers diffuse from solution into a crosslinked polymer gel is often a crucial processing step in the synthesis of multiphase polymer-based gels, e.g., core-shell mi…