Articles with "dynamics assessment" as a keyword



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Ab initio molecular dynamics assessment of thermodynamic and transport properties in (K,Li)Cl and (K, Na)Cl molten salt mixtures

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Published in 2021 at "Journal of Molecular Liquids"

DOI: 10.1016/j.molliq.2020.115262

Abstract: Abstract Molten salt mixtures are integral part of highly important technological applications such as nuclear reactors. However, due to inherent difficulties associated with experiment at high temperatures and the intrinsic complexity of liquid-phase multi-component systems,… read more here.

Keywords: molecular dynamics; transport; molten salt; salt mixtures ... See more keywords
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Molecular Dynamics Assessment of Mechanical Properties of the Thin Filaments in Cardiac Muscle

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Published in 2023 at "International Journal of Molecular Sciences"

DOI: 10.3390/ijms24054792

Abstract: Contraction of cardiac muscle is regulated by Ca2+ ions via regulatory proteins, troponin (Tn), and tropomyosin (Tpm) associated with the thin (actin) filaments in myocardial sarcomeres. The binding of Ca2+ to a Tn subunit causes… read more here.

Keywords: thin filament; molecular dynamics; muscle; cardiac muscle ... See more keywords