相关论文: Sequence of Events During Peptide Unbinding from R…
We present Molecular Dynamics simulations of a single stranded unprotonated DNA i-motif in explicit solvent. Our results indicate that the native structure in non-acidic solution at 300 K is unstable and completely vanishes on a time scale…
In this second of three articles on the optical absorption of electrons in a half-filled Peierls-distorted chain we present exact results for strongly correlated tight-binding electrons. In the limit of a strong on-site interaction $U$ we…
Squaraine dyes (SQs) represent a versatile class of functional molecules with strong absorption and emission features, widely used as near-infrared sensitizers in organic and hybrid photovoltaic devices. In this context, the photodynamics…
We study SN 2006oz, a newly-recognized member of the class of H-poor, super-luminous supernovae. We present multi-color light curves from the SDSS-II SN Survey, that cover the rise time, as well as an optical spectrum that shows that the…
Superconducting Nanowire Single-Photon Detectors (SNSPDs) are key building blocks for photonic quantum technologies due to their ability to detect single photons with ultra-high efficiency, low dark counts and fast temporal resolution.…
We describe Structured Random Binding (SRB), a minimal model of protein-protein interactions rooted in the statistical physics of disordered systems. In this model, nonspecific binding is a generic consequence of the interaction between…
Single molecule experiments on B-DNA stretching have revealed one or two structural transitions, when increasing the external force. They are characterized by a sudden increase of DNA contour length and a decrease of the bending rigidity.…
Coherent grazing-incidence small-angle X-ray scattering is used to investigate the average kinetics and the fluctuation dynamics during self-organized nanopatterning of silicon by Ar$^+$ bombardment at 65$^{\circ}$ polar angle. At early…
Efficient peptide adsorption on metasurfaces is essential for advanced biosensing applications. In this study, we demonstrate how ellipsometric measurements coupled with numerical simulations allow for real-time tracking of temporin-SHa…
The binding problem is one of the fundamental challenges that prevent the artificial neural network (ANNs) from a compositional understanding of the world like human perception, because disentangled and distributed representations of…
The accurate knowledge of the elastic properties of single-stranded DNA (ssDNA) is key to characterize the thermodynamics of molecular reactions that are studied by force spectroscopy methods where DNA is mechanically unfolded. Examples…
We propose a novel approach to detect the binding between proteins making use of the anomalous diffraction of natively present heavy elements inside the molecule 3D structure. In particular, we suggest considering sulfur atoms contained in…
Light strongly interacts with structures that are of a similar scale to its wavelength; typically nanoscale features for light in the visible spectrum. However, the optical response of these nanostructures is usually fixed during the…
Helicases are molecular motors which unwind double-stranded nucleic acids (dsNA) in cells. Many helicases move with directional bias on single-stranded (ss) nucleic acids, and couple their directional translocation to strand separation. A…
Tight-binding molecular dynamics simulations of photo-excitations in small Se clusters (isolated Se$_8$ ring and helical Se chain) and glassy Se networks (containing 162 atoms) were carried out in order to analyse the photo induced…
We investigate unfolding/folding force kinetics in DNA hairpins exhibiting two and three states with newly designed short dsDNA handles (29 bp) using optical tweezers. We show how the higher stiffness of the molecular setup moderately…
Single-molecule pulling experiments on unstructured proteins linked to neurodegenerative diseases have measured rupture forces comparable to those for stable folded proteins. To investigate the structural mechanisms of this unexpected force…
We calculate detailed NLTE synthetic spectra of a Pulsating Reverse Detonation (PRD) model, a novel explosion mechanism for Type Ia supernovae. While the hydro models are calculated in 3-D, the spectra use an angle averaged hydro model and…
Context.We present a comprehensive photometric and spectroscopic study of the nearby Type II supernova (SN) 2023ixf, with our extensive observations spanning the phases from ~3 to over 600 days after the first light.\\ Aims.The aim of this…
We propose a model for the photo-deactivation mechanism for DNA based upon accurate quantum chemical and molecular dynamical evaluations of model Watson/Crick nucleoside pairs and stacked pairs. Our results corroborate recent ultrafast…