Articles with "structural ensemble" as a keyword



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Determination of a structural ensemble representing the dynamics of a G-quadruplex DNA.

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Published in 2019 at "Biochemistry"

DOI: 10.1021/acs.biochem.9b00493

Abstract: It is increasingly recognised that the structure and dynamics of G-quadruplex DNA are dictated by its sequence and greatly affected by environmental factors. The core guanine tetrads (G-tetrads) coordinate cations and display a strong conformational… read more here.

Keywords: dna; quadruplex dna; determination structural; structural ensemble ... See more keywords
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Secondary Structural Ensemble Learning Cluster for Estimating the State of Health of Lithium-Ion Batteries

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Published in 2022 at "ACS Omega"

DOI: 10.1021/acsomega.2c01589

Abstract: Accurate online state-of-health (SOH) estimation can improve the operational efficiency of lithium-ion batteries (LIBs) and ensure the safety of energy storage systems. However, the complex electrochemical properties of LIBs make accurate SOH estimation challenging. To… read more here.

Keywords: ion batteries; state health; secondary structural; structural ensemble ... See more keywords
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Computational study of the structural ensemble of CC chemokine receptor type 5 (CCR5) and its interactions with different ligands

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Published in 2022 at "PLoS ONE"

DOI: 10.1371/journal.pone.0275269

Abstract: CC Chemokine receptor 5 (CCR5), a member of the Superfamily of G Protein-Coupled Receptors (GPCRs), is an important effector in multiple physiopathological processes such as inflammatory and infectious entities, including central nervous system neuroinflammatory diseases… read more here.

Keywords: chemokine; computational study; chemokine receptor; structural ensemble ... See more keywords