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Published in 2021 at "Composite Structures"
DOI: 10.1016/j.compstruct.2020.113139
Abstract: Abstract Multiscale modelling of 3D multi-axial knitted 3D spacer composites is proposed. The developed modeling approach is based on a full-field finite element homogenization and conducted at each microstructural level. The relevant scales and their…
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Keywords:
multiscale modelling;
mechanical response;
multi axial;
knitted spacer ... See more keywords
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Published in 2019 at "Drug discovery today"
DOI: 10.1016/j.drudis.2019.12.009
Abstract: Here, we introduce models at three levels (molecular level, cellular and omics level, and organ and system level) that study drug mechanism and safety in preclinical drug discovery. The models differ in both their scope…
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Keywords:
drug;
multiscale modelling;
mechanism safety;
drug mechanism ... See more keywords
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Published in 2021 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2020.167395
Abstract: The magnetic Barkhausen noise (MBN) control is popular for materials characterization and as a magnetic Non-Destructive Testing & Evaluation (NDT & E) method. MBN comes from the erratic and unpredictable magnetic domains motion during the…
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Keywords:
multiscale modelling;
magnetization;
magnetic barkhausen;
energy ... See more keywords
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Published in 2020 at "Current opinion in structural biology"
DOI: 10.1016/j.sbi.2019.12.019
Abstract: In recent years, advances in structural biology, integrative modelling, and simulation approaches have allowed us to gain unprecedented insights into viral structure and dynamics. In this article we survey recent studies utilizing this wealth of…
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Keywords:
modelling simulation;
multiscale modelling;
biology;
simulation viruses ... See more keywords
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Published in 2020 at "Nanoscale"
DOI: 10.1039/d0nr02382e
Abstract: In this study, we compare the charge transport properties of multiple double-stranded (ds)RNA sequences with corresponding dsDNA sequences. Recent studies have presented a contradictory picture of relative charge transport efficiencies in A-form DNA : RNA hybrids and…
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Keywords:
transport efficiencies;
charge transport;
multiscale modelling;
rna ... See more keywords
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Published in 2022 at "RSC Advances"
DOI: 10.1039/d2ra03392e
Abstract: Acetohydroxamic acid (AHA) is a small organic acid with a wide variety of industrial, biological, and pharmacological applications. A deep fundamental molecular level understanding of the mechanisms responsible for the radical-induced reactions of AHA in…
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Keywords:
chemistry;
multiscale modelling;
acetohydroxamic acid;
radical induced ... See more keywords