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   Articles with "hierarchical structural" as a keyword



Discovery of Highly Bioactive Peptides through Hierarchical Structural Information and Molecular Dynamics Simulations

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recommendations! Published in 2024 at "Journal of chemical information and modeling"

DOI: 10.1021/acs.jcim.4c01006

Abstract: Peptide drugs play an essential role in modern therapeutics, but the computational design of these molecules is hindered by several challenges. Traditional methods like molecular docking and molecular dynamics (MD) simulation, as well as recent… read more here.

Keywords: information; hierarchical structural; molecular dynamics; discovery highly ... See more keywords

Hierarchical Structural Evolution of Zn2GeO4 in Binary Solvent and Its Effect on Li-ion Storage Performance.

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recommendations! Published in 2017 at "ACS applied materials & interfaces"

DOI: 10.1021/acsami.7b00582

Abstract: Zinc germinate (Zn2GeO4) with a hierarchical structure was successfully synthesized in a binary ethylenediamine/water (En/H2O) solvent system by wet chemistry methods. The morphological evolution process of the Zn2GeO4 was investigated in detail by tuning the… read more here.

Keywords: evolution; solvent; ion; zn2geo4 ... See more keywords

Novel magnesium-seamed organic nanocapsules with hierarchical structural complexity.

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recommendations! Published in 2017 at "Chemical communications"

DOI: 10.1039/c7cc07390a

Abstract: Enhancing hierarchical structural complexities of metal-organic nanocapsules is an effective way of introducing new functions and properties. Herein, we present the synthesis of novel magnesium-seamed C-alkylpyrogallol[4]arene nanocapsules with hierarchical structural complexity via both exterior and… read more here.

Keywords: structural complexity; nanocapsules hierarchical; magnesium seamed; novel magnesium ... See more keywords

Kernel-based hierarchical structural component models for pathway analysis.

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recommendations! Published in 2022 at "Bioinformatics"

DOI: 10.1093/bioinformatics/btac276

Abstract: MOTIVATION Pathway analyses have led to more insight into the underlying biological functions related to the phenotype of interest in various types of omics data. Pathway-based statistical approaches have been actively developed, but most of… read more here.

Keywords: hiscom kernel; hierarchical structural; pathway based; structural component ... See more keywords

Differences in hierarchical structural changes between unoriented P(3HB) and P(3HB-co-3HH) under stretching

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recommendations! Published in 2025 at "Journal of Applied Crystallography"

DOI: 10.1107/s1600576725002365

Abstract: By using in situX-ray scattering, the introduction of 3-hydroxyhexanoate (3HH) to the eco-friendly polymer poly[(R)-3-hydroxybutyrate] [P(3HB)] was found to reduce both the density fluctuations on the submicrometre scale and the stability of the crystals, resulting… read more here.

Keywords: unoriented 3hb; differences hierarchical; 3hb 3hb; hierarchical structural ... See more keywords