“…For CASP14, we developed deep learning‐based methods for predicting homo‐oligomeric and hetero‐oligomeric contacts and used them for oligomer modeling. …”
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“…Herein, we have found instead that the blueshifts reflect a lowering of the a(2u) HOMO (highest occupied molecular orbital) energy levels. …”
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“…Specifically, we demonstrate that the rebound bursting of a TRN neuron is a type of “fold/homo-clinic” bifurcation, and the tonic spiking is the fold cycle bifurcation. …”
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“…One of the bacterial high temperature requirement A (HtrA) protein family members, the homo-oligomeric DegP protease, plays a crucial role in the Escherichia coli protein quality control machinery by removing unfolded proteins or preventing their aggregation and chaperoning them to their final folded state within the periplasm. …”
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“…Use of such ‘floating’ denominators raises a barrier to estimation of the absolute values that assume practical importance in medical research, where accurate comparison between different scenarios in different species is essential to the aim of translating preclinical research findings in animal models to clinical utility in Homo sapiens. This review identifies some of the underappreciated problems with current morphometric practice, some of which are exacerbated in skeletal muscle, and evaluates the extent of their intrusiveness into the of building an objective, accurate, picture of the structure of the muscle sample. …”
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“…The results show that doping of alkali metal atoms leads to a reduction of the HOMO–LUMO gap and increase of the dipole moment, polarizability and hyperpolarizability of nanocages. …”
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“…While the nature of the metal-carbon bond in transition metal complexes bearing N-heterocyclic carbenes (NHCs) is predominantly considered to be neutral sigma or dative bonds, the strength of the bond is highly dependent on the energy match between the highest occupied molecular orbital (HOMO) of the NHC ligand and that of the metal ion. …”
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“…The optical properties such as FT-IR, Raman, UV-VIS, and EDS spectra were calculated using TD-DFT, which also provided the energy gap, HOMO-LUMO structure. The optical properties of the synthesized imino quinolines were experimentally studied using photoluminescence and absorption spectroscopy. …”
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“…Predicted conductances during the stretching process show order of magnitude variations caused by two robust destructive quantum interference features that span through the whole electronic gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO). …”
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“…Electron delocalization occurs from the plumbole HOMO to an orbital of mainly d-character at the lanthanide ion. …”
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“…In this review we compare the septins from nine well-studied model organisms that span the tree of life (Homo sapiens, Drosophila melanogaster, Schistosoma mansoni, Caenorhabditis elegans, Saccharomyces cerevisiae, Aspergillus nidulans, Magnaporthe oryzae, Tetrahymena thermophila, and Chlamydomonas reinhardtii). …”
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“…Electron absorption and the luminescence spectra were measured and discussed in terms of the calculated singlet, triplet, HOMO and LUMO electron energies. The Stokes shifts derived from the optical spectra were equal to 9410 cm(−1) for the triazole ring and 7625 cm(−1) for the pyridine ring.…”
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“…Moreover, frontier molecular orbital analysis showed that the chemical reactivity of epoxy/amine molecules increased and the HOMO–LUMO energy gap decreased from 6.511 eV to 5.617 eV under the effect of ultrasonic.…”
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“…An immunostimulatory property of mitochondria has also been recognized which is deployed through the extracellular release of entire or portioned organelle and/or mitochondrial DNA (mtDNA) unloading. Dynamic homo- and heterotypic interactions involving mitochondria have been described. …”
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“…Deletion or mutation of these Ca(2+) binding residues resulted in altered protein trafficking phenotypes, including (i) changes in the Ca(2+)–Gag distribution relationship during uropod targeting and/or (ii) defects in homo/hetero-oligomerization with Gag. Mutation of Ca(2+) binding amino acids is associated with enhanced ubiquitination and a decline in virion release via uropod protein complex delivery. …”
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“…FMO analysis revealed that the highest reduction in the HOMO–LUMO energy gap is observed in the case of O(3) (5.03 eV) adsorption onto the CTF-0 surface, which indicates the sensitivity of CTF-0 for O(3) analytes. …”
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“…The triazole functional group demonstrates homo- and heterometallic connectivity (Ag—Ag and Ag—V) of the metal centers through the [–NN–] double and single bridges, respectively. …”
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“…Electronic properties of the adsorbates and adsorbent were estimated via vertical ionization potential, vertical electron affinity, global electrophilicity index and the HOMO and LUMO. Adsorption energy and population analyses were carried out to figure out the nature of the adsorption process. …”
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“…Polyvinylphosphonates are highly promising candidates for (bio)medical applications as they exhibit a tunable lower critical solution temperature, high biocompatibility of homo- and copolymers, and a broad foundation for post-synthetic modifications. …”
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“…We also demonstrate the formation of heterocapsules (GluR) (ArgR) (homo- and heterochiral) that utilize additional interactions between charged acidic and basic side chains and have better encapsulation properties than those of the homodimers.…”
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