Scaling Dynamical Correlation Energy from Density Functional Theory Correlation Functionals [PDF]
The Journal of Physical Chemistry A, 2005 The scaling of dynamical correlation energy in molecules obtained by the correlation functionals of density functional theory (DFT) is examined. The approach taken is very similar to the scaled external correlation method of Brown and Truhlar but is based on the observation that DFT correlation functionals, especially the LYP, appear to represent the ...
openaire +2 more sources
Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions
FEBS Letters, EarlyView.We show that Arg‐rich peptides selectively unfold RNA G‐quadruplexes, but not RNA stem‐loops or DNA/RNA duplexes. This length‐dependent activity is inhibited by acidic residues and is conserved among SR and SR‐related proteins (SRSF1, SRSF3, SRSF9, U1‐70K, and U2AF1).
Naiduwadura Ivon Upekala De Silva +10 more
wiley +1 more source
Amino acid correlation functions in protein structures
Acta Chimica Slovenica, 2015 Understanding the spatial folding of proteins from their amino acid sequences has an enormous potential in contemporary life sciences. The ability to predict secondary and tertiary structures from the primary through the use of computers will enable a ...
Tomaž Urbič, Klemen Kržišnik
doaj +1 more source
Estimation of a Spectral Correlation Function Using a Time-Smoothing Cyclic Periodogram and FFT Interpolation-2N-FFT Algorithm. [PDF]
Sensors (Basel), 2022 Shevgunov T, Efimov E, Guschina O.
europepmc +1 more source
FEBS Letters, EarlyView.The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li +2 more
wiley +1 more source
A novel machine learning approach for surface roughness quantification and optimization of cast-on-strap lead-antimony alloy via two-point correlation function. [PDF]
Sci Rep, 2023 Basyoni M, Jiao Y, Allam NK.
europepmc +1 more source
Structural biology of ferritin nanocages
FEBS Letters, EarlyView.Ferritin is a conserved iron‐storage protein that sequesters iron as a ferric mineral core within a nanocage, protecting cells from oxidative damage and maintaining iron homeostasis. This review discusses ferritin biology, structure, and function, and highlights recent cryo‐EM studies revealing mechanisms of ferritinophagy, cellular iron uptake, and ...
Eloise Mastrangelo, Flavio Di Pisa
wiley +1 more source
Evaluation and Optimization Design for Microclimate Comfort of Traditional Village Squares Based on Extension Correlation Function. [PDF]
J Environ Public Health, 2022 Guo Q, Liu X.
europepmc +1 more source
FEBS Letters, EarlyView.We identified a systemic, progressive loss of protein S‐glutathionylation—detected by nonreducing western blotting—alongside dysregulation of glutathione‐cycle enzymes in both neuronal and peripheral tissues of Taiwanese SMA mice. These alterations were partially rescued by SMN antisense oligonucleotide therapy, revealing persistent redox imbalance as ...
Sofia Vrettou, Brunhilde Wirth
wiley +1 more source
Advanced Cross-Correlation Function Application to Identify Arterial Baroreflex Sensitivity Variations From Healthy to Diabetes Mellitus. [PDF]
Front Neurosci, 2022 Yeh SJ, Lung CW, Jan YK, Liau BY.
europepmc +1 more source