“…The first structure revealed a “wrapped” conformation of ssDNA around the homo-oligomeric RAD52 ring, in which the edges of the bases involved in base pairing are exposed to the solvent. …”
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“…While fission-specific proteins such as dynamin work as homo-oligomeric complexes, many fusion catalysts such as mitofusins or bacterial dynamin-like proteins (DLPs) act as hetero-oligomers. …”
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“…Here we report the cryo-electron microscopy (cryo-EM) structure of the paused Sus scrofa/Homo sapiens Pol II-DSIF-NELF transcription elongation complex (PEC) at 3.2 Å resolution. …”
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“…This study opens a new vista for CN in homogeneous catalysis and offers a successful example of a polymeric catalyst that bridges the gap between homo/heterogeneous catalysis.…”
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“…The Density Function theory (DFT) was employed for quantum-chemical calculations such as E(HOMO) (highest occupied molecular orbital energy), E(LUMO) (lowest unoccupied molecular orbital energy) and μ (dipole moment), and the obtained results were found to be consistent with the experimental findings. …”
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“…Density functional calculations have been performed using DFT method with 6-31G* basis set. The HOMO-LUMO energy gap, binding energies and electron deformation densities are calculated at the DFT (BLYP, PW91, PWC) level. …”
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“…The results exhibited extremely high linearity for [Formula: see text] with Q(xx/yy/zz), α and E(HOMO) based on the meta-position grouping. Polychlorinated dibenzodioxins (PCDDs) and polychlorinated naphthalenes (PCNs) congeners, as two independent compounds, validated the reliability of the relationship. …”
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“…The current version of CircFunBase documents more than 7000 manually curated functional circRNA entries, mainly including Homo sapiens, Mus musculus etc. CircFunBase provides visualized circRNA-miRNA interaction networks. …”
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“…The optimized structure generated theoretically via density functional theory (DFT) using standard B3LYP functional and 6–311 G(d,p) basis-set calculations renders good support to the experimental data. The HOMO–LUMO behaviour was elucidated to determine the energy gap. …”
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“…In this work the relationship between the formal number of π‐electrons, d‐orbital conjugation topology, π‐electron delocalization and aromaticity in d‐block metallacycles is investigated in the context of recent findings concerning the correlation of π‐HOMO topology and the magnetic aromaticity indices in these species. …”
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“…The DFT calculation also approved that the doping of N could optimize the Mulliken charges distribution and improve the HOMO energy and improve the adsorption ability of N-SAC. …”
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“…Equus ferus caballus shares the steroidogenic pathway with Homo sapiens, which makes the horse a suitable animal model for investigations of human steroidogenesis. …”
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“…Molecular weights for homo- and copolymers were determined by gel-permeation chromatography (GPC) and amino acid analysis, respectively. …”
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“…A new chemotype with carbonic anhydrase (CA, EC 4.2.1.1) inhibitory action has been discovered, the homo-sulfocoumarins (3H-1,2-benzoxathiepine 2,2-dioxides) which have been designed considering the (sulfo)coumarins as lead molecules. …”
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“…Density functional theoretical method (DFT) was performed using B3LYP with the 6-311+G (d, p) basis set and the results were compared with the experimental values which confirm the intermolecular interactions responsible for the enhanced NLO activity of the molecule, as evident from NBO and Hirshfeld analyses. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. …”
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“…Our distortion/interaction–activation strain analysis has been revealed that the degree of geometrical predistortion of the cycloalkyne ground‐state geometries acts to enhance reactivity compared with that of acyclic alkynes through three distinct mechanisms, not only due to (i) a reduced strain or distortion energy, but also to (ii) a smaller HOMO–LUMO gap, and (iii) an enhanced orbital overlap, which both contribute to more stabilizing orbital interactions.…”
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“…Hominins like Paranthropus robustus and early Homo have been recovered from Cooper’s Cave. We report here on the Equidae remains. …”
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“…NMR and UV-vis spectroscopic and electrochemical data for (CAAC(Me))LBCl show that the boron centre becomes more electron-rich and the HOMO–LUMO gap widens as L becomes less π-accepting. …”
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“…The causes of disappearance of the Neanderthals, the only human population living in Europe before the arrival of Homo sapiens, have been debated for decades by the scientific community. …”
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“…VHL and CRBN are also the two most popular E3 ligases being recruited by bifunctional Proteolysis-targeting chimeras (PROTACs) to induce ubiquitination and subsequent proteasomal degradation of a target protein. Using homo-PROTACs, VHL and CRBN have been independently dimerized to induce their own degradation. …”
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