“…Analysis of the global activity descriptors of GA indicates that only B3LYP method combined with different solvation models satisfactory reproduces LUMO-HOMO energies and provides the smallest value of the total electron energy of GA. …”
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“…Mechanisms by which sHSPs delay aggregation of client proteins remain undefined. sHSPs have high intrinsic disorder content of up to ~60% and assemble into large, polydisperse homo- and hetero-oligomers, making them challenging structural and biochemical targets. …”
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“…Moreover, the conducted analysis on the FMOs revealed efficient transference of charge from the highest occupied to the lowest unoccupied molecular orbitals (HOMO → LUMO), further supported by TDM and DOS analyses. …”
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“…This implies survival long enough to colonize the solar system and perhaps the galaxy either with Homo sapiens or some sort of conscious artificial creatures that we regard as our intellectual descendants (cyborgs, androids, whatever).…”
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“…Crucially, the process shows high selectivity for cross-versus homo-coupling and allows efficient access to a variety of aromatic scaffolds including biaryls, benzofurans and, through an iterative procedure, aromatic oligomers.…”
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“…Benzene-1,3,5-tricarboxamide (BTA) glyco-monomers containing one, two or three mannose units are synthesized and formulated into differently patterned supramolecular glycopolymers through homo-assembly or co-assembly with non-functionalized BTAs. …”
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“…These mice express wild-type deer or PrP(C) harboring the S138N substitution homo- or heterozygously, a polymorphism found exclusively in reindeer (Rangifer tarandus spp.) and fallow deer (Dama dama). …”
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“…The biological activity predictions are based on the global and local chemical descriptors, namely, HOMO–LUMO gaps, chemical hardness, chemical potential, electrophilicity, dipole moment, and Fukui functions. …”
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“…The study’s primary focus is molecular docking prediction, which demonstrated that ligands (L07, L08, and L09) bind to Mpox (PDB ID: 4QWO) and MARV (PDB ID: 4OR8) with binding affinities ranging from -8.00 kcal/mol to -9.5 kcal/mol. HOMO-LUMO based quantum calculations were employed to determine the HOMO-LUMO gap of frontier molecular orbitals (FMOs) and to estimate chemical potential, electronegativity, hardness, and softness. …”
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“…DeepTMP is extensively evaluated on a test set of 52 self-associated transmembrane protein complexes, and compared with state-of-the-art methods including DeepHomo2.0, CDPred, GLINTER, DeepHomo, and DNCON2_Inter. …”
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“…Quantitative ligand binding assays reveal that both CLEC2D homodimers and CLEC2D/TLR2 heterodimers have a higher binding ability to fungi-derived β-glucans than TLR2 homodimers. Moreover, homo- or hetero-dimeric CLEC2D mediates β-glucan-induced ubiquitination and degradation of MyD88 to inhibit the activation of transcription factor IRF5 and subsequent IL-12 production. …”
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“…Global reactivity parameters were found to be closely associated with the band gap between the HOMO and LUMO orbitals, and the compound with the smallest energy gap, ATTD3, exhibited a lower hardness value of 1.754 eV and higher softness value of 0.570 eV with outstanding NLO response. …”
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“…We compared transcription-associated histone modifications and nascent transcripts at both TSSs and CREs in Arabidopsis thaliana, Drosophila melanogaster, and Homo sapiens. Our results provide evidence for mostly unidirectional Pol II initiation at both promoters and gene-proximal CREs of Arabidopsis thaliana, whereas bidirectional transcription initiation is observed widely at promoters in both Drosophila melanogaster and Homo sapiens, as well as CREs in Drosophila. …”
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“…The first version of the system dealt with the Homo sapiens and Mus musculus TRA and TRB loci whose gene rearrangements allow the synthesis of the αβ TR chains. …”
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“…First, the argument assumes that when Kant maintains that humanity must be treated as an end in itself, he means to argue that all members of the species Homo sapiens must be treated as ends in themselves; that is, that Kant regards personhood as co-extensive with belonging to the species Homo sapiens. …”
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“…After allowing 6–10 generations of algal growth, we found that algal species richness had similar impacts on biomass production in both homo- and heterogeneous environments. Although four of the five algal species showed a strong response to nutrient heterogeneity, a single species dominated algal communities in both types of environments. …”
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“…CONCLUSIONS: Prehistoric Palauan populations were normal sized and exhibit traits that fall within the normal variation for Homo sapiens—they do not support the claims by Berger et al. (2008) that there were smaller-bodied populations living in Palau or that insular dwarfism took place such as may be the case for Homo floresiensis.…”
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