相关论文: Physics of Proteins at Low Temperature

An atomic protein model with a minimalistic potential is developed and then tested on an alpha-helix and a beta-hairpin, using exactly the same parameters for both peptides. We find that melting curves for these sequences to a good…

Protein denaturing induced by supercooling is interpreted as a process where some or all internal symmetries of the native protein are spontaneously broken. Hence, the free-energy potential corresponding to a folding-funnel landscape…

We investigate the thermodynamics of a quench realized by turning on an interaction generating pure decoherence. We characterize the work probability distribution function, also with a fluctuation relation, a lower bound of the work and by…

We have coupled a chemical model with two dynamical models of collapsing low mass star-forming cores to predict abundances across the core of the commonly used infall tracers, CS and HCO$^+$, at various stages of the collapse. The models…

In the standard cosmological model a mysterious cold dark matter (CDM) component dominates the formation of structures. Numerical studies of the formation of CDM halos have produced several robust results that allow unique tests of the…

We perform lengthy molecular dynamics simulations of the SPC/E model of water to investigate the dynamics under pressure at many temperatures and compare with experimental measurements. We calculate the isochrones of the diffusion constant…

A core-softened model of a glass forming fluid is numerically studied in the limit of very low temperatures. The model shows two qualitatively different behaviors depending on the strength of the attraction between particles. For no or low…

In this study, variations with respect to temperature of the increments of enthalpy and Gibbs energy, arising in the dissolution of proteins in water, have been investigated by the methods of statistical thermodynamics. In this formalism,…

The aim of this book chapter is to indicate how quantum phenomena are affecting the operation of microscopic thermal machines, such as engines and refrigerators. As converting heat to work is one of the fundamental concerns in…

We study the nonlinear driven response and sliding friction behavior of the phase-field-crystal (PFC) model with pinning including both thermal fluctuations and inertial effects. The model provides a continuous description of adsorbed…

The dielectric properties of proteins, particularly in their hydrated state, have been extensively studied. Numerous theoretical and experimental investigations have reported values of both the permittivity and the intrinsic dipole moments…

One-dimensional hopping model is useful to describe the motion of microscopic particle in thermal noise environment, such as motor proteins. Recent experiments about the new generation of light-driven rotary molecular motors found that, the…

We present a theoretical investigation of the electronic specific heat (ESH) at constant volume (Cv) of single-helical proteins modeled within the tight-binding (TB) framework. We study the effects of helical symmetry, long-range hopping,…

We analyze diffusion of small particles in a solid polymeric medium taking into account a short range particle-polymer interaction. The system is modeled by a particle diffusion on a ternary lattice where the sites occupied by polymer…

We discuss general thermodynamic properties of molecular structure formation processes like protein folding by means of simplified, coarse-grained models. The conformational transitions accompanying these processes exhibit similarities to…

The theory of elastic rods can be used to describe certain geometric and topological properties of the DNA molecules. A similar effective field theory approach was previously suggested to describe the conformations and dynamics of proteins.…

In order to elucidate the role of the native state topology and the stability of subdomains in protein folding, we investigate free energy landscape of human lysozyme, which is composed of two subdomains, by Monte Carlo simulations. A…

In this talk I give a short review of theoretical results on the properties of hadrons in cold, equilibrium nuclear matter. I then discuss the observable consequences of any changes of these properties inside the medium in actual…

Quantitative models of associative learning that explain the behavior of real animals with high precision have turned out very difficult to construct. We do this in the context of the dynamics of the thermal preference of C. elegans. For…

We study the behavior of five proteins at the air-water and oil-water interfaces by all-atom molecular dynamics. The proteins are found to get distorted when pinned to the interface. This behavior is consistent with the phenomenological way…