Articles with "grain model" as a keyword



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Coarse-Grain Model of Ultrarigid Polymer Rods Comprising Bifunctionally Linked Peptide Bundlemers.

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Published in 2024 at "Biomacromolecules"

DOI: 10.1021/acs.biomac.4c01192

Abstract: Computationally designed homotetrameric helical peptide bundles have been functionalized at their N-termini to achieve supramolecular polymers, wherein individual bundles ("bundlemers") are the monomeric units. Adjacent bundles are linked via two covalent cross-links. The polymers exhibit… read more here.

Keywords: polymer rods; coarse grain; model ultrarigid; model ... See more keywords

A Martini 3 coarse-grain model for the simulation of the photopolymerizable organic phase in dental composites

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Published in 2022 at "RSC Advances"

DOI: 10.1039/d2ra00732k

Abstract: Light-hardening dental composites can be used in a large number of applications in restorative dentistry. They are based on photopolymerizable resins, which are highly relevant also in other industries like 3D printing. Much effort is… read more here.

Keywords: dental composites; coarse grain; model; grain model ... See more keywords