Related papers: Detection of residual native state entropy changes…
Globular proteins undergo thermal fluctuations in solution, while maintaining an overall well-defined folded structure. In particular, studies have shown that the core structure of globular proteins differs in small, but significant ways…
N6-methyladenosine (m6A) is a prevalent RNA post-transcriptional modification that plays crucial roles in RNA stability, structural dynamics, and interactions with proteins. The YT521-B (YTH) family of proteins, which are notable m6A…
The effect of mutations on protein structures is usually rather localized and minor. Finding a mutation that can single-handedly change the fold and/or topology of a protein structure is a rare exception. The A31P mutant of the homodimeric…
We present $^{77}$Se-NMR measurements on single-crystalline FeSe under pressures up to 2 GPa. Based on the observation of the splitting and broadening of the NMR spectrum due to structural twin domains, we discovered that static, local…
A magnetic order can be completely suppressed at zero temperature($T$), by doping carriers or applying pressure, at a quantum critical point(QCP), around which physical properties change drastically. However, the situation is unclear for an…
We investigate how the observable relaxation behavior of an isolated quantum many-body system is modified in response to weak-to-moderate perturbations within a nonperturbative typicality framework. A key role is played by the so-called…
Magnetic nanotubes have garnered immense attention for their potential in high-density magnetic memory, owing to their stable flux closure configuration and fast, reproducible reversal processes. However, characterizing their magnetic…
The nuclear magnetic resonance (NMR) relaxation of quadrupolar nuclei is governed by the electric field gradient (EFG) fluctuations at their position. In classical molecular dynamics (MD), the electron cloud contribution to the EFG can be…
Familial hemiplegic migraine (FHM) is a rare subtype of migraine with aura. A mutation causing FHM type 3 (FHM3) has been identified in SCN1A encoding the Nav1.1 Na$^+$ channel. This genetic defect affects the inactivation gate. While the…
We present a verified computational model of the SH3 domain transition state (TS) ensemble. This model was built for three separate SH3 domains using experimental s in all-atom protein folding simulations. While averaging over all…
Neutrinos can rapidly change flavor in the inner dense regions of core-collapse supernovae and neutron star mergers due to the neutrino fast flavor instability. If the amount of flavor transformation is significant, the FFI could…
NMR is the technique of election to probe the local properties of materials. Herein we present the results of density functional theory (DFT) \textit{ab initio} calculations of the NMR parameters for fluorapatite (FAp), a calcium…
The properties of spin polarized neutron matter are studied both at zero and finite temperature using Skyrme-type interactions. It is shown that the critical density at which ferromagnetism takes place decreases with temperature. This…
The fidelity and entropy in an easy-axis antiferromagnetic Heisenberg spin-1 chain are studied numerically. By using the method of density-matrix renormalization group, the effects of anisotropy on fidelity and entanglement entropy are…
Ferromagnetic resonance (FMR) was used to investigate the static and dynamic magnetic properties of carbon-doped Mn5Ge3 (C$_{0.1}$ and C$_{0.2}$) thin films grown on Ge(111). The temperature dependence of magnetic anisotropy shows an…
Entropy changes due to delocalization and decoherence effects should modify the predictions for the cosmological neutrino background (C$\nu$B) temperature when one treats neutrino flavors in the framework of composite quantum systems.…
Friction in ordered atomistic layers plays a central role in various nanoscale systems ranging from nanomachines to biological systems. It governs transport properties, wear and dissipation. Defects and incommensurate lattice constants…
When quantifying the mixing properties of a quantum dynamical system in terms of dynamical entropy, the following scheme appears natural: observe the state of the system at regular time intervals while it evolves and determine the entropy…
Proteins have evolved through mutations, amino acid substitutions, since life appeared on Earth, some 109 years ago. The study of these phenomena has been of particular significance because of their impact on protein stability, function,…
By exploring a recent model [Palmeri, J., M. Manghi, and N. Destainville. 2007. Phys. Rev. Lett. 99:088103] where DNA bending elasticity, described by the wormlike chain model, is coupled to base-pair denaturation, we demonstrate that small…