Related papers: Protein atom traps as seeing by neutron scattering

Thermal unfolding of proteins is compared to folding and mechanical stretching in a simple topology-based dynamical model. We define the unfolding time and demonstrate its low-temperature divergence. Below a characteristic temperature,…

The transport of atoms is experimentally studied in a transistor-like triple-well potential consisting of a narrow gate well surrounded by source and drain wells. Atoms are initially loaded into the source well with pre-determined…

Proteins fold to a specific functional conformation with a densely packed hydrophobic core that controls their stability. We develop a geometric, yet all-atom model for proteins that explains the universal core packing fraction of…

The dynamical characterization of proteins is crucial to understand protein function. From a microscopic point of view, protein dynamics is governed by the local atomic interactions that, in turn, trigger the functional conformational…

We recently introduced a wave-mechanical model for quasi-elastic neutron scattering (QENS) in proteins. We call the model ELM for "Energy Landscape Model". We postulate that the spectrum of the scattered neutrons consists of lines of…

Coherent control, a central concept in physics and chemistry, has sparked significant interest due to its ability to fine-tune interference effects in atoms and individual molecules for applications ranging from light-harvesting complexes…

An all-atom model of proteins is used to show that the same sequence of amino acids can have many alternative structures, that are very distant from, and that can be as stable as, the corresponding native structure. Such alternative…

The behaviour of a di-nuclear system in the regime of strong pairing correlations is studied with the methods of statistical mechanics. It is shown that the thermal averaging is strong enough to assure the application of thermodynamical…

Using large-scale numerical simulations we studied the kinetics of the 2d q-Potts model for q > 4 after a shallow subcritical quench from a high-temperature homogeneous configuration. This protocol drives the system across a first-order…

We refine a protein model that reproduces fundamental aspects of protein thermodynamics. The model exhibits two transitions, hot and cold unfolding. The number of relevant parameters is reduced to three: 1) binding energy of folding…

We theoretically analyze the dynamics of an atomic double-well system with a single ion trapped in its center. We find that the atomic tunnelling rate between the wells depends both on the spin of the ion via the short-range spin-dependent…

We use a simplified model which is based on the same physics as inherent in most statistical models for nuclear multifragmentation. The simplified model allows exact calculations for thermodynamic properties of systems of large number of…

The long time accumulation of the \textit{random} actions of a single particle "reservoir" on its coupled system can transfer some temperature information of its initial state to the coupled system. This dynamic process can be referred to…

We describe the dynamics of a bound state of an attractive $\delta$-well under displacement of the potential. Exact analytical results are presented for the suddenly moved potential. Since this is a quantum system, only a fraction of the…

Generative models of complex systems often require post-hoc parameter adjustments to produce useful outputs. For example, energy-based models for protein design are sampled at an artificially low ''temperature'' to generate novel,…

A novel energy landscape model, ELM, for proteins recently explained a collection of incoherent, elastic neutron scattering data from proteins. The ELM of proteins considers the elastic response of the proton and its environment to the…

We introduce a simplified protein model where the water degrees of freedom appear explicitly (although in an extremely simplified fashion). Using this model we are able to recover both the warm and the cold protein denaturation within a…

Designing cooling protocols is believed to require knowledge of the system spectrum. In contrast, cooling in nature occurs whenever the system is coupled to a cold bath. How does nature know how to cool? A natural cold bath can be mimicked…

Nuclear many-body theory is based on the tenet that nuclear systems can be accurately described as collections of point-like particles. This picture, while providing a remarkably accurate explanation of a wealth of measured properties of…

In small confined systems predictions for the melting point strongly depend on the choice of quantity and on the way it is computed, even yielding divergent and ambiguous results. We present a very simple quantity which allows to control…