Results 11 to 20 of about 7,143 (284)
FERRITIN nanocages used as programmable bricks for biomolecular electronics
, 2023 Ferritin nanocages are ubiquitous proteins, widely known for their ability to handle iron atoms inside many living species. This particular protein has a unique architecture made of an amino acid shell with an iron core and has appeared as an attractive ...
Luis, Lechaptois
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Electron Channels in Biomolecular Nanowires [PDF]
The Journal of Physical Chemistry B, 2004 We report a first-principle study of the electronic and conduction properties of a quadruple-helix guanine wire (G4-wire), a DNA-derivative, with inner potassium ions. The analysis of the electronic structure highlights the presence of energy manifolds that are equivalent to the bands of (semi)conducting materials, and reveals the formation of extended
A Calzolari +3 more
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Protein-based luminescent aerogels with elastic properties
Green Chemistry Letters and Reviews, 2022 Gelatin is a famous gel-forming proteinaceous material with excellent hydrogelation properties. Herein, we report that protein nanofibrils (PNFs) can be employed to form hybrids with gelatin that can be converted to aerogels with attractive mechanical ...
Yusheng Yuan, Niclas Solin
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Fourier spectrum of the integral dipole moment of a number of amino acids supercomputer models
St. Petersburg Polytechnical University Journal: Physics and Mathematics, 2022 In order to analyze molecular vibrations, a method based on the calculation of the Fourier frequency spectrum of supercomputer amplitude-time realizations of the integral dipole moment in supercomputer simulation of glycine, Diphenyl-L-alanine, and ...
Baranov Maksim +2 more
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Accurate Biomolecular Simulations Account for Electronic Polarization [PDF]
Frontiers in Molecular Biosciences, 2019 In this perspective, we discuss where and how accounting for electronic many-body polarization affects the accuracy of classical molecular dynamics simulations of biomolecules.While the effects of electronic polarization are highly pronounced for molecules with an opposite total charge, they are also non-negligible for interactions with overall neutral
Josef Melcr +3 more
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Engineering Biology, 2017 Retroactivity arises when the coupling of a molecular network [inline-formula] to a downstream network [inline-formula] results in signal propagation back from [inline-formula] to [inline-formula].
Abhishek Deshpande, Thomas E. Ouldridge
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Tuning Structure and Dynamics of Blue Copper Azurin Junctions via Single Amino-Acid Mutations
Biomolecules, 2019 In the growing field of biomolecular electronics, blue-copper Azurin stands out as one of the most widely studied protein in single-molecule contacts.
Maria Ortega +5 more
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