The shortcomings encountered in the CLOPPA-PM3-RPA coupling constant calculations shown in part I of this work are analyzed. These are: (i) the Hartree–Fock quasi-instabilities of the non-singlet type in PM3 wavefunctions; and (ii) the erroneous PM3-derived description of the hybridization ...
To test this CS model, we first used NMR RD to measure the isomerization kinetics in a ssRNA containing the most abundant m6A consensus sequence1,2in eukaryotic mRNAs (\({{{\mathrm{ssGGACU}}}^{{{\mathrm{m}}}^6{{{\mathrm{A}}}\); Fig.2b). This was important given that prior kine...
We carried out a meta-analysis of the experimental literature reporting time-courses of protein refolding and acquisition of function (Fig.1aand Supplementary Data1). We focus on in vitro studies because they are capable of controlling for a number of factors that are currently not possible to c...
The instability and low abundances of native oligomers make the isolation and characterization of their structural properties using NMR and Cryo-EM very challenging. Due to these challenges, researchers in the field have resorted to the development of conformation- or aggregate-specific antibodies. One...
Minnesota functionalsNMRSpin–spin coupling constantPhosphorus–hydrogen compoundsThe Minnesota density functionals may be considered as the widely adopted of the developed functionals between the years 2005 and 2017. In this work, we present a systematic benchmark study on the acc...
The 40 unique seed numbers for initial velocities of Simulations 1–40 are listed in Table S2. All simulations used (i) a dielectric constant of 1.0, (ii) the Berendsen coupling algorithm [23], (iii) the Particle Mesh Ewald method to calculate electrostatic interactions of two atoms at a ...
In both cases, we shall make use of the well-known NMR property: The sensitivity is inversely proportional to the coil dimensions, generally its diameter. While it may be easily envisaged to build its own complete probe, specifically adapted to a particular sample, we will show how to ...
[78]. The total coliform and faecal coliform concentrations remained constant throughout the year except in February when the density of medusae was very low in the W zone; the observed coliform increase in that month could be related to meteorological phenomena and, in particular, to terrestrial...
The metabolic chain’s end purpose is ATP synthesis via oxidative phosphorylation (OXPHOS), whereby coupling oxidation to phosphorylation produces more than 95% of the ATP. During the process, highly energetic electrons from NADH and FADH2 are transferred through the five electron transport chain compl...