Role of electrostatic forces in cluster formation in a dry ionomer
This simulation study investigates the dependence of the structure of dry Nafion$^{\tiny\textregistered}$-like ionomers on the electrostatic interactions between the components of the molecules.
Allahyarov, Elshad, Taylor, Philip L.
core +1 more source
Driven translocation of a semi-flexible polymer through a nanopore [PDF]
We study the driven translocation of a semi-flexible polymer through a nanopore by means of a modified version of the iso-flux tension propagation theory (IFTP), and extensive molecular dynamics (MD) simulations.
Ala-Nissila, Tapio +5 more
core +2 more sources
Function‐driven design of a surrogate interleukin‐2 receptor ligand
Interleukin (IL)‐2 signaling can be achieved and precisely fine‐tuned through the affinity, distance, and orientation of the heterodimeric receptors with their ligands. We designed a biased IL‐2 surrogate ligand that selectively promotes effector T and natural killer cell activation and differentiation. Interleukin (IL) receptors play a pivotal role in
Ziwei Tang +9 more
wiley +1 more source
Charge modified, comb-like graft-polyesters for drug delivery and DNA vaccination: Synthesis and Characterization of Poly(vinyl dialkylaminoalkylcarbamate-co-vinyl acetate-co-vinyl alcohol)-graft-poly(D,L-lactide-co-glycolide)s [PDF]
In the present thesis a novel tailor-made polyester class based on amine-modified backbones and PLGA side chains was synthesized after designing its chemical structure under consideration of all necessary assumptions for a drug delivery ...
Kissel, Thomas (Prof. Dr.) +1 more
core +1 more source
Time after time – circadian clocks through the lens of oscillator theory
Oscillator theory bridges physics and circadian biology. Damped oscillators require external drivers, while limit cycles emerge from delayed feedback and nonlinearities. Coupling enables tissue‐level coherence, and entrainment aligns internal clocks with environmental cues.
Marta del Olmo +2 more
wiley +1 more source
Fuse your mitochondria, lose appetite: an anorexic, anti‐obesity sphingolipid
Aberrant production of ceramides, the precursors of complex sphingolipids, is a hallmark of obesity and strongly linked to metabolic dysfunction (Meikle and Summers 2017).
Carolin Muley, Alexander Bartelt
doaj +1 more source
By Molecular Dynamics simulation of a coarse-grained bead-spring type model for a cylindrical molecular brush with a backbone chain of $N_b$ effective monomers to which with grafting density $\sigma$ side chains with $N$ effective monomers are tethered ...
Binder, Kurt +3 more
core +1 more source
The newfound relationship between extrachromosomal DNAs and excised signal circles
Extrachromosomal DNAs (ecDNAs) contribute to the progression of many human cancers. In addition, circular DNA by‐products of V(D)J recombination, excised signal circles (ESCs), have roles in cancer progression but have largely been overlooked. In this Review, we explore the roles of ecDNAs and ESCs in cancer development, and highlight why these ...
Dylan Casey, Zeqian Gao, Joan Boyes
wiley +1 more source
Translocation Dynamics with Attractive Nanopore-Polymer Interactions [PDF]
Using Langevin dynamics simulations, we investigate the influence of polymer-pore interactions on the dynamics of biopolymer translocation through nanopores. We find that an attractive interaction can significantly change the translocation dynamics. This
Aniket Bhattacharya +7 more
core +3 more sources
Side chain length affects backbone dynamics in poly(3‐alkylthiophene)s
ABSTRACTCharge transport in conjugated polymers may be governed not only by the static microstructure but also fluctuations of backbone segments. Using molecular dynamics simulations, we predict the role of side chains in the backbone dynamics for regiorandom poly(3‐alkylthiophene‐2,5‐diyl)s (P3ATs). We show that the backbone of poly(3‐dodecylthiophene‐
Pengfei Zhan +10 more
openaire +4 more sources

