Enhancing the efficiency of time-dependent density functional theory calculations of dynamic response properties. [PDF]
NPJ Comput MaterMoldabekov ZA +6 more
europepmc +1 more source
Evolution‐guided yeast complementation reveals functional differences in human PSPH variants
FEBS Open Bio, EarlyView.Ancient genomes can help guide which human genetic variants are tested experimentally. This study applies that idea to PSPH, a gene involved in serine biosynthesis, and uses high‐throughput yeast complementation to compare variant function. The findings reveal measurable differences among selected alleles and illustrate the value of evolution‐guided ...
Mauricio Campa‐Álvarez +6 more
wiley +1 more source
Classical Density Functional Theory Coupled to the SAFT-VR Mie Equation of State: Extension to Associating Fluids. [PDF]
J Phys Chem Bde Freitas Gonçalves A +2 more
europepmc +1 more source
FEBS Open Bio, EarlyView.We describe detailed protocols for the purification and preparation of Marchantia polymorpha Auxin Response Factor 2 (MpARF2). This protein is fused to an MBP solubility tag and an mNG fluorescent tag and is purified from Escherichia coli. The presented procedures make it possible to study MpARF2 assemblies, which could arise from phase separation ...
Bas Janssen +5 more
wiley +1 more source
Revisiting the Classification of Physisorption Isotherms with Classical Density Functional Theory. [PDF]
J Phys Chem BBernet T, Canu C, Jackson G.
europepmc +1 more source
Protocol for quantifying miRNA trafficking across the endosomal membrane
FEBS Open Bio, EarlyView.An in vitro protocol measures miRNA uptake into endosomes isolated from mammalian cell extracts, which are free of subcellular contaminants. Performed at 37 °C in the presence of ATP, it ensures the import of single‐stranded miRNA into the endosomal lumen.
Syamantak Ghosh +2 more
wiley +1 more source
Rational Design of Conjugated Phenylpropanoid-Polyene Hybrids: Density Functional Theory Insights into Antiradical and Optical Properties. [PDF]
Int J Mol SciMolski M.
europepmc +1 more source
Dual native G‐quadruplex folding is associated with chromatin looping at the MYC locus
FEBS Open Bio, EarlyView.BG4‐detectable G‐quadruplex (G4) in HaCaT and NHEK keratinocytes identified folded and unfolded G4s enriched at promoters/TSSs and active enhancers, whereas unfolded G4s also overlapped weak/poised enhancers. At MYC–PVT1, 3C‐qPCR detected enhancer–promoter looping only when G4s were simultaneously folded at both regulatory elements under native ...
Dieila Giomo de Lima +7 more
wiley +1 more source
Density Functional Theory and Information-Theoretic Diagnostics of Quantum Phase Transitions. [PDF]
Entropy (Basel)Romera E, Nagy Á.
europepmc +1 more source
Heterotropic regulation and negative homotropic cooperativity
FEBS Open Bio, EarlyView.We identified a structural module common to some proteins that couple negative cooperativity with heterotropic regulation, two features that rarely coexist. These proteins are ring‐like and present an ordered asymmetry whereby noncontacting subunits are symmetric, and their tertiary structure differs from that of contacting subunits.
Veronica Morea +5 more
wiley +1 more source