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  1. 4441
    “…Finally, amino acid conservation logos of the Kinetoplastea spp. and Homo sapiens PX domains revealed high evolutionary conservation in residues forming the critical structural motifs for PtdIns3P recognition. …”
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    In Silico Identification and Analysis of Proteins Containing the Phox Homology Phosphoinositide-Binding Domain in Kinetoplastea Protists: Evolutionary Conservation and Uniqueness of Phox-Homology-Domain-Containing Protein Architectures
  2. 4442
    “…Frontier molecular orbital (FMO) results exhibited changes in the E(HOMO), E(LUMO), and E(gap) values of the pure β(12) and GN nanosheets following the adsorption of CX(4) molecules. …”
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    Adsorption Features of Tetrahalomethanes (CX(4); X = F, Cl, and Br) on β(12) Borophene and Pristine Graphene Nanosheets: A Comparative DFT Study
  3. 4443
    “…Here, we report four cryo-electron microscopy (cryo-EM) reconstructions of Homo sapiens Mrs2 (hMrs2) under various conditions. …”
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    Molecular basis of Mg(2+) permeation through the human mitochondrial Mrs2 channel
  4. 4444
    “…In particular, the Cattaneo-Christov heat flux model and buoyancy effect have been taken into account in the numerical simulation of time-based unsteady flow of Casson-Williamson nanofluid carried over a magnetic dipole enabled curved stretching sheet with thermal radiation, Joule heating, an exponential heat source, homo-heterogenic reactions, slip, and melting heat peripheral conditions. …”
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    Magnetic dipole effects on unsteady flow of Casson-Williamson nanofluid propelled by stretching slippery curved melting sheet with buoyancy force
  5. 4445
    “…Moreover, the chemical reactivity of PtB towards the PLK-1 target was also optimised using density functional theory (DFT) calculations, which exhibited a lower HOMO-LUMO energy gap. Overall, these studies suggest that PtB binds strongly within the pocket sites of PLK-1 through the formation of a stable complex, and also shows higher chemical reactivity than the reference drug volasertib. …”
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    Pentafuhalol-B, a Phlorotannin from Brown Algae, Strongly Inhibits the PLK-1 Overexpression in Cancer Cells as Revealed by Computational Analysis
  6. 4446
    “…The DFT study on M06-2X/6-311G (d,p) was used to indicate HOMO, LUMO, MEP, and other parameters for a better understanding of 12j and 12k reactivity. …”
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    Design, synthesis, anticancer and in silico assessment of 8-piperazinyl caffeinyl-triazolylmethyl hybrid conjugates
  7. 4447
    “…Other versatile and unique properties of the studied compounds include a broad photoabsorption range (from 250 up to 1100 nm), a reduced HOMO-LUMO gap (1.26–1.68 eV), and a small singlet-triplet energy gap (3.65–5.68 kcal/mol).…”
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    Synthesis, structural analysis, and properties of highly twisted alkenes 13,13’-bis(dibenzo[a,i]fluorenylidene) and its derivatives
  8. 4448
    “…We investigated the impact of different homobifunctional spacers, ranging in atomic length from 3 to 10, on the sensitivity and specificity of prednisolone (PSL) enzyme immunoassays. In this study, four homo-bifunctional spacers, namely, carbohydrazide (CH), adipic acid dihydrazide (ADH), ethylene diamine (EDA), and urea (U), were incorporated between PSL and horseradish peroxidase (HRP) for preparing the enzyme conjugate with an aim to improve the sensitivity of the assay without compromising assay specificity. …”
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    Development and optimization of an in-house heterologous ELISA for detection of prednisolone drug in enzyme conjugates using spacers
  9. 4449
    “…Mechanical forces are propagated in a unique manner along Pex1/Pex6 interfaces that are not available in homo-oligomeric AAA-ATPases. Our structural analysis reveals the mechanisms of how Pex1 and Pex6 coordinate to achieve substrate translocation.…”
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    Structure of the peroxisomal Pex1/Pex6 ATPase complex bound to a substrate
  10. 4450
    por Patel, Ketan D., Gulick, Andrew M.
    Publicado 2023
    “…Cationic homo-polyamino acid (CHPA) peptides containing isopeptide bonds of diamino acids have been identified from Actinomycetes strains. …”
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    Structural and functional insights into δ-poly-L-ornithine polymer biosynthesis from Acinetobacter baumannii
  11. 4451
    “…TNF receptor homotrimers are natively activated by similarly homo-trimerized TNF ligands, but can also be activated by synthetic agonists including engineered antibodies and Fc-ligand fusion proteins. …”
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    Reconciling intrinsic properties of activating TNF receptors by native ligands versus synthetic agonists
  12. 4452
    “…Our data suggest that A. baumannii has divided the function of TssJ by (1) co-opting a new protein TsmK that stabilizes the MC and by (2) evolving a new domain in TssM for homo-oligomerization, a prerequisite to build the T6SS channel. …”
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    Acinetobacter type VI secretion system comprises a non-canonical membrane complex
  13. 4453
    “…Among all of the derivatives, DCTM5 exhibited the least highest occupied molecular orbital–lowest unoccupied molecular orbital (HOMO–LUMO) band gap (E(g)) 0.968 eV with a high softness of 0.562 eV(–1), and hence possessed the highest polarizability. …”
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    Theoretical Perspective toward Designing of 5-Methylbenzo [1,2-b:3,4-b′:6,5-b″] trithiophene-Based Nonlinear Optical Compounds with Extended Acceptors
  14. 4454
    “…SITh theorises that SI evolved as late as 400,000 years ago, when our ancestors (in particular, Homo heidelbergensis) turned to a kind of food procurement that obligatorily required joint coordinated action. …”
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    Empirical challenges from the comparative and developmental literature to the Shared Intentionality Theory – a review of alternative data on recursive mind reading, prosociality, imitation and cumulative culture
  15. 4455
    “…Density Functional Theory (DFT) calculations were computed to establish concurrence between theoretical and experimental results. Furthermore, the HOMO-LUMO energy levels were determined using the B3LYP/6-31+G(d, p) level of theory. …”
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    Synthesis, crystal structure, DFT, Hirshfeld surface analysis, energy frameworks and in-Silico drug-targeting PFKFB3 kinase of novel triazolequinoxalin derivative (TZQ) as a therapeutic Strategy against cancer
  16. 4456
    “…In the sequel, DFT results revealed that the HOMO and LUMO surfaces of the methylene blue dye are mostly distributed on all dye parts, reflecting possible strong interactions with the clay. …”
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    Physicochemical Characterization of Clay and Study of Cationic Methylene Blue Dye Adsorption
  17. 4457
    “…We also show the increased information content when using real-time homo- and heteronuclear decoupled acquisition schemes. …”
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    Assignment of the disordered, proline-rich N-terminal domain of the tumour suppressor p53 protein using (1)H(N) and (1)H(α)-detected NMR measurements
  18. 4458
    “…Here, using cryo-EM we report the structures of human MRS2 in the presence and absence of Mg(2+) at 2.8 Å and 3.3 Å, respectively. From the homo-pentameric structures, we identify R332 and M336 as major gating residues, which are then tested using mutagenesis and two cellular divalent ion uptake assays. …”
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    Cryo-EM structures of human magnesium channel MRS2 reveal gating and regulatory mechanisms
  19. 4459
    “…Exploitation of smaller game is very rarely documented before the latest phases of the Pleistocene, which is often taken to imply narrow diets of archaic Homo and interpreted as a striking economic difference between Late Pleistocene and earlier hominins. …”
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    Beaver exploitation, 400,000 years ago, testifies to prey choice diversity of Middle Pleistocene hominins
  20. 4460
    “…As a bHLH transcription factor, Twist1 exerts its activity by forming homo- or heterodimers with other factors. In this study, we showed Twist1 restricts adipogenesis through PPARγ. …”
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    Deciphering the interaction between Twist1 and PPARγ during adipocyte differentiation
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