Given the three-dimensional structure of a protein, its thermodynamic properties are calculated using a recently introduced distance constraint model (DCM) within a mean-field treatment. The DCM is constructed from a free energy decomposition that partitions microscopic interactions into a variety of constraint types, i.e., covalent bonds, salt-bridges, hydrogen-bonds, and torsional-forces, eac...

In any general cycle of measurement, feedback, and erasure, the measurement will reduce the entropy of the system when information about the state is obtained, while erasure, according to Landauer's principle, is accompanied by a corresponding increase in entropy due to the compression of logical and physical phase space. The total process can in principle be fully reversible. A measurement err...

Entropy generation for a paramagnetic fluid in a square enclosure with thermomagnetic convection is numerically investigated under the influence of a magnetic quadrupole field. The magnetic field is calculated using the scalar magnetic potential approach. The finite-volume method is applied to solve the coupled equation for flow, energy, and entropy generation. Simulations are conducted to obta...

This paper studies bivariate distributions with fixed marginals from an information-theoretic perspective. In particular, continuity and related properties of various information measures (Shannon entropy, conditional entropy, mutual information, Rényi entropy) on the set of all such distributions are investigated. The notion of minimum entropy coupling is introduced, and it is shown that it de...

The change in free energy with temperature at constant pressure of a chemical reaction is determined by the sum (dS) of changes in entropy of the system of reagents, dS(i), and the additional entropy change of the surroundings, dS(H), that results from the enthalpy change, W. A faulty identification of the total entropy change on reaction with dS(i) has been responsible for the attribution of g...

The total entropy production of a trajectory can be split into an adiabatic and a nonadiabatic contribution, deriving, respectively, from the breaking of detailed balance via nonequilibrium boundary conditions or by external driving. We show that each of them, the total, the adiabatic, and the nonadiabatic trajectory entropy, separately satisfies a detailed fluctuation theorem.