Related papers: Ion Condensation onto Ribozyme is Site-Specific an…
A statistical theory is presented of the magnesium ion interacting with lysozyme under conditions where the latter is positively charged. Temporarily assuming magnesium is not noncovalently bound to the protein, I solve the nonlinear…
The properties of molecule-optical elements such as lenses or prisms based on the interaction of molecules with optical fields depend in a crucial way on the molecular quantum state and its alignment created by the optical field. However,…
The narrowing of electron and ion wave packets in the process of photoionization is investigated, with the electron-ion recoil fully taken into account. Packet localization of this type is directly related to entanglement in the joint…
Combining X-ray diffraction with density-functional theory and electron topology calculations we found that pressure substantially modifies the bonding in K2Zn(IO3)4.2H2O. We discovered that under compression there is a progressive change…
The tertiary structures of functional RNA molecules remain difficult to decipher. A new generation of automated RNA structure prediction methods may help address these challenges but have not yet been experimentally validated. Here we apply…
We study a system of two bosons of one species and a third boson of a second species in a one-dimensional parabolic trap at zero temperature. We assume contact repulsive inter- and intra-species interactions. By means of an exact…
One prominent structural feature of ionic liquids near surfaces is formation of alternating layers of anions and cations. However, how this layering responds to applied potential is poorly understood. We focus on the structure of…
Protein folding cooperativity is defined by the nature of the finite-size thermodynamic transition exhibited upon folding: two-state transitions show a free energy barrier between the folded and unfolded ensembles, while downhill folding is…
Rechargeable lithium ion batteries are an attractive alternative power source for a wide variety of applications. To optimize their performances, a complete description of the solvation properties of the ion in the electrolyte is crucial. A…
The electronic and motional degrees of freedom of trapped ions can be controlled and coherently coupled on the level of individual quanta. Assembling complex quantum systems ion by ion while keeping this unique level of control remains a…
We present a new approach to investigating Rydberg molecules by demonstrating the formation and characterization of individual Rb$^{*}$Cs Rydberg molecules using optical tweezers. By employing single-atom detection of Rb and Cs, we observe…
We show within the Color Glass Condensate framework that exclusive vector meson production at high energy is sensitive to the geometric deformation of the target nucleus at multiple length scales. Studying $e+$U collisions and varying the…
A reduced model, which can fold both helix and sheet structures, is proposed to study the problem of protein folding. The goal of this model is to find an unbiased effective potential that has included the effects of water and at the same…
Magnetic reconnection in partially ionized plasmas plays a crucial role in a wide range of solar, astrophysical, and laboratory environments. While reconnection in such plasmas is commonly characterized by the ion-neutral coupling strength…
We have used molecular simulation and methods of importance sampling to study the thermodynamics and kinetics of ionic charge separation at a liquid water-metal interface. We have considered this process using canonical examples of two…
Ionic Coulomb blockade (ICB) is an electrostatic phenomenon recently discovered in low-capacitance ion channels/nanopores. Depending on the fixed charge that is present, ICB strongly and selectively influences the ease with which a given…
Although the immobilization of oligonucleotides (nucleic acid) on mineral surfaces is at the basis of different biotechnological applications, an atomistic understanding of the interaction of the nucleic acid components with the titanium…
Enhanced dynamical fluctuations of RNAs, facilitated by a network of water molecules with strong interactions with RNA, are suspected to be critical in their ability to respond to a variety of cellular signals. Using atomically detailed…
Ribonucleic Acid (RNA) can fold into shapes that perform functions in the cell. These foldings are governed by Watson-Crick base pairing, namely Adenine to Uracil and Cytosine to Guanine (A-U and G-C). The properties of the H-P…
The folding of RNA and DNA strands plays crucial roles in biological systems and bionanotechnology. However, studying these processes with high-resolution numerical models is beyond current computational capabilities due to the timescales…