Ligand‐dependent transcriptional heterogeneity in cell cycle gene expression delays G1/S entry
FEBS Letters, EarlyView.EGF and HRG induce distinct G1/S progression programs in ErbB2‐amplified BT474 breast cancer cells. Despite activating the potent ErbB2–ErbB3 heterodimer, HRG does not accelerate cell‐cycle entry. Instead, EGF promotes earlier restriction‐point passage via ERK–FOS signaling, whereas HRG activates the AKT–MYC axis, driving transcriptional heterogeneity ...
Ririn Rahmala Febri +5 more
wiley +1 more source
Structures and properties of VB5−/0 clusters from density functional theory calculations
Tạp chí Khoa học Đại học Đồng Tháp, 2020 Density functional theory with the BPW91 functional and def2-TZVP basis sets was used to investigate the geometric structures of VB5−/0 clusters. By using the bee colony algorithm, 300 initial structures are created for the studied cluster.
Van Tan Tran +6 more
doaj +1 more source
Treatment of Magnetic Fields in Density-Functional Theory
, 2018 Magnetic properties are an important application area in quantum chemistry. However, for the most widely used method in electronic structure calculations, density-functional theory, it is still not understood how to rigorously include the magnetic field ...
Reimann, Sarah
core +1 more source
Emerging experimental and computational methods for studying redox‐regulated structural transitions
FEBS Letters, EarlyView.Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass +2 more
wiley +1 more source
Translophagy—A potential link between autophagy impairment and translational errors
FEBS Letters, EarlyView.Neurodegenerative diseases are characterised by the accumulation of abnormal proteins and protein aggregates, but their origin often remains unknown. We propose that selective autophagy removes damaged protein‐making machinery, preventing errors during protein synthesis.
Mykola V. Korolchuk +11 more
wiley +1 more source
Density functional theory calculations of point defects and hydrogen isotopes in Li4SiO4
AIP Advances, 2015 The Li4SiO4 is a promising breeder material for future fusion reactors. Radiation induced vacancies and hydrogen isotope related impurities are the major types of point defects in this breeder material.
Xiaogang Xiang +10 more
doaj +1 more source
Stopping Power Calculations of Compounds by Using Thomas-Fermi-Dirac-Weizsäcker Density Functional [PDF]
, 2008 Electronic stopping power of compounds was calculated by using the Thomas-Fermi-Dirac-Weizsäcker density functional. Bragg's rule was employed to determine stopping power of compounds from the elemental stopping power results.
Tufan, M., Gűműş, H.
core +1 more source
FEBS Letters, EarlyView.Encapsulins are protein nanocompartments that play an important role in iron storage. In the Myxococcus xanthus encapsulin system, two cargo proteins called EncB and EncC contribute to iron mineralization. Here, we show that EncB and EncC generate iron‐containing minerals with distinct chemical compositions, suggesting that the composition of stored ...
Harry B. McDowell +2 more
wiley +1 more source
Density functional calculations of La(H2O)103+ and Mg(H2O)62+ adsorption on kaolinite surfaces
矿业科学学报Ion-type rare earth ore is a crucial category of strategic mineral resources in China. Rare earth elements in these ores are adsorbed on the surface of clay minerals (such as kaolinite) in the form of ion hydrate.
ZHANG Xuyong +5 more
doaj +1 more source
Performance of the M062X density functional against the ISOL set of benchmark isomerization energies for large organic molecules [PDF]
, 2010 Gas phase standard state (298.15 K, 1 atm) isomerization energies were calculated using the M062X functional with the QZVP, 6-311++G(d,p), 6-311++G(2d,2p), and cc-pVTZ basis sets against the 24 reactions in the ISOL set of benchmark isomerization ...
Sierra Rayne, Kaya Forest
core +1 more source