Related papers: Analysis of Two-State Folding Using Parabolic Appr…
The thermodynamic properties for three different types of off-lattice four-strand beta-sheet protein models interacting via a hybrid Go-type potential have been investigated. Discontinuous molecular dynamic simulations have been performed…
The experimental calorimetric two-state criterion requires the van't Hoff enthalpy $\Delta H_{\rm vH}$ around the folding/unfolding transition midpoint to be equal or very close to the calorimetric enthalpy $\Delta H_{\rm cal}$ of the…
To what extent do general features of folding/unfolding kinetics of small globular proteins follow from their thermodynamic properties? To address this question, we investigate a new simplifed protein chain model that embodies a cooperative…
Using a structure-based coarse-grained model of proteins, we study the mechanism of unfolding of knotted proteins through heating. We find that the dominant mechanisms of unfolding depend on the temperature applied and are generally…
We determine and study the steady state of two independent two-level systems weakly coupled to a stationary non-equilibrium environment. Whereas this bipartite state is necessarily uncorrelated if the splitting energies of the two-level…
We develop the strong coupling quantum thermodynamics based on the solution of the exact master equation. We find that both the Hamiltonian and the temperature must be renormalized due to the system-reservoir couplings. With the…
Motivated by experiments on doped transition metal oxides, this paper considers the interplay of interactions, disorder, kinetic energy and temperature in a simple system. An ensemble of two-site Anderson-Hubbard model systems has already…
Simple classical thermodynamic approach to the general description of metastable states is presented. It makes possible to calculate the explicit dependence of the Gibbs free energy on temperature, to calculate the heat capacity, the…
The dynamical convergence of a system to the thermal distribution, or Gibbs state, is a standard assumption across all of the physical sciences. The Gibbs state is determined just by temperature and the system's energies alone. But at…
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,…
We present a statistical mechanics treatment of the stability of globular proteins which takes explicitly into account the coupling between the protein and water degrees of freedom. This allows us to describe both the cold and the warm…
We present an example counter to the widely-accepted concept on equilibrium states that "Any thermodynamic equilibrium state of two component systems is determined by specifying 4 thermodynamic variables that include at least 1 extensive…
We present a novel statistical mechanics formalism for the theoretical description of the process of protein folding$\leftrightarrow$unfolding transition in water environment. The formalism is based on the construction of the partition…
We study two two-level atomic quantum systems (qubits) placed close to a body held at a temperature different from that of the surrounding walls. While at thermal equilibrium the two-qubit dynamics is characterized by not entangled steady…
Two-state cooperativity is an important characteristic in protein folding. It is defined by a depletion of states lying energetically between folded and unfolded conformations. While there are different ways to test for two-state…
We study four distinct families of Gibbs canonical distributions defined on the standard complex, quaternionic, real and classical (nonquantum) two-level systems. The structure function or density of states for any two-level system is a…
Within the frame of an effective, coarse-grained hydrophobic-polar protein model, we employ multicanonical Monte Carlo simulations to investigate free-energy landscapes and folding channels of exemplified heteropolymer sequences, which are…
We study the transition probabilities of a two-point measurement on a quantum system, initially prepared in a thermal state. We find two independent constraints on the difference between transition probabilities when the system is prepared…
There is an ever-growing need for predictive models for the elasto-viscoplastic deformation of solids. Our goal in this paper is to incorporate recently developed out-of-equilibrium statistical concepts into a thermodynamically consistent,…
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…