Articles with "bond networks" as a keyword



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Protein-water hydrogen-bond networks of G Protein-Coupled Receptors: graph-based analyses of static structures and molecular dynamics.

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Published in 2020 at "Journal of structural biology"

DOI: 10.1016/j.jsb.2020.107634

Abstract: Protein and protein-water hydrogen bonds are thought to shape the conformational energy landscape of G Protein-Coupled Receptors, GPCRs. As numerous static structures of GPCRs have been solved, the important question arises whether GPCR structures and… read more here.

Keywords: bond networks; bond; hydrogen bond; protein water ... See more keywords
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Bridge: A graph-based algorithm to analyze dynamic H-bond networks in membrane proteins.

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Published in 2019 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.9b00697

Abstract: Membrane proteins that function as transporters or receptors must communicate with both sides of the lipid bilayer in which they sit. This long distance communication enables transporters to move protons or other ions and small… read more here.

Keywords: protein; membrane proteins; hydrogen; bond networks ... See more keywords
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Dynamic Construction and Maintenance of Confined Nanoregions via Hydrogen-Bond Networks between Acetylene Reactants and a Polyoxometalate-Based Metal-Organic Framework.

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Published in 2023 at "ACS applied materials & interfaces"

DOI: 10.1021/acsami.2c23072

Abstract: The nanoconfinement effect in catalysis has attracted much attention because it provides a novel means of regulating the molecular properties and related reactions. Confined nanoregions composed of both reactants and catalysts through weak interactions are… read more here.

Keywords: confined nanoregions; hydrogen bond; acetylene reactants; bond networks ... See more keywords
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ab-Initio Study of Hydrogen Bond Networks in 1,2,3-Triazole Phases

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Published in 2020 at "Molecules"

DOI: 10.3390/molecules25235722

Abstract: The research in storage and conversion of energy is an everlasting process. The use of fuel cells is very tempting but up to now there are still several conceptual challenges to overcome. Especially, the requirement… read more here.

Keywords: networks triazole; bond networks; hydrogen bond; triazole phases ... See more keywords