Sequence determinants of RNA G‐quadruplex unfolding by Arg‐rich regions
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
Dynamics of droplets on a thin [EMIm]Ac ionic liquid film
The impact of water and 1-ethyl-3-methylimidazolium acetate ([EMIm]Ac) drops on [EMIm]Ac ionic liquid film was studied. The hydrodynamics of the impact of drops on a water liquid film were compared.
Fangfang Zhang +3 more
doaj +1 more source
Structural Properties of High and Low Density Water in a Supercooled Aqueous Solution of Salt
We consider and compare the structural properties of bulk TIP4P water and of a sodium chloride aqueous solution in TIP4P water with concentration c = 0.67 mol/kg, in the metastable supercooled region. In a previous paper [D. Corradini, M.
Corradini, D., Gallo, P., Rovere, M.
core +1 more source
SAFT-γ force field for the simulation of molecular fluids: 4. A single-site coarse-grained model of water applicable over a wide temperature range [PDF]
In this work, we develop coarse-grained (CG) force fields for water, where the effective CG intermolecular interactions between particles are estimated from an accurate description of the macroscopic experimental vapour-liquid equilibria data by means of
Avendaño, C +6 more
core +2 more sources
Tuning Water Networks via Ionic Liquid/Water Mixtures [PDF]
Water in nanoconfinement is ubiquitous in biological systems and membrane materials, with altered properties that significantly influence the surrounding system. In this work, we show how ionic liquid (IL)/water mixtures can be tuned to create water environments that resemble nanoconfined systems.
Archana Verma +2 more
openaire +2 more sources
Cell wall target fragment discovery using a low‐cost, minimal fragment library
LoCoFrag100 is a fragment library made up of 100 different compounds. Similarity between the fragments is minimized and 10 different fragments are mixed into a single cocktail, which is soaked to protein crystals. These crystals are analysed by X‐ray crystallography, revealing the binding modes of the bound fragment ligands.
Kaizhou Yan +5 more
wiley +1 more source
Equation of State of Supercooled Water from the Sedimentation Profile [PDF]
To study the coexistence of two liquid states of water within one simulation box, we implement an equilibrium sedimentation method--which involves applying a gravitational field to the system and measuring/calculating the resulting density profile in ...
Sciortino, F. +2 more
core +1 more source
Tau acetylation at K331 has limited impact on tau pathology in vivo
We mapped tau post‐translational modifications in humanized MAPT knock‐in mice and in amyloid‐bearing double knock‐in mice. Acetylation within the repeat domain, particularly around K331, showed modest increases under amyloid pathology. To test functional relevance, we generated MAPTK331Q knock‐in mice.
Shoko Hashimoto +3 more
wiley +1 more source
Properties of New Flows Indicate that Martian Gullies Form via CO2 Frost‐Fluidization Processes
Martian gully landforms are widely seen as evidence of liquid water, often attributed to snowmelt during high‐obliquity periods within the last few million years.
Colin M. Dundas +4 more
doaj +1 more source
Molecular dynamics study of accelerated ion-induced shock waves in biological media [PDF]
We present a molecular dynamics study of the effects of carbon- and iron-ion induced shock waves in DNA duplexes in liquid water. We use the CHARMM force field implemented within the MBN Explorer simulation package to optimize and equilibrate DNA ...
A.D. MacKerell Jr. +25 more
core +4 more sources

