In the standard inflationary scenario with inflaton potential V (Φ) = M4 − 1 4λΦ 4, the resulting density perturbations δρ/ρ are proportional to λ1/2. Upper bounds on δρ/ρ require λ <∼ 10 −13. Ratra has shown that an alternative treatment of reheating results in δρ/ρ ∝ λ−1, so that an upper bound on δρ/ρ does not put an obvious upper bound on λ. We verify that δρ/ρ ∝ λ−1 is indeed a possibility...

During the past 30 years, research in general relativity has brought to light strong hints of a very deep and fundamental relationship between gravitation, thermodynamics, and quantum theory. The most striking indication of such a relationship comes from black hole thermodynamics, where it appears that certain laws of black hole mechanics are, in fact, simply the ordinary laws of thermodynamics...

Thermodynamic measurements of proteins indicate that the folding to the native state takes place either through stable intermediates or through a two-state process without intermediates. The rather short folding times of proteins indicate that folding is guided through some sequence of contact bindings. We discuss the possibility of reconciling a two-state folding event with a sequential foldin...

Isothermal titration calorimetry (ITC) is a popular chemical analysis technique that can be used to measure macromolecular interactions and physical processes. ITC involves the measurement of heat flow from cell after each injection during experiment. has been useful thermodynamics such as protein-ligand or protein-protein binding affinity also processes enzyme catalyzed reactions. The use in b...

We present two simplified models of protein dynamics based on Langevin’s equation of motion in a viscous medium. We explore the effect of the potential energy function’s symmetry on the kinetics and thermodynamics of simulated folding. We find that an isotropic potential energy function produces, at best, a modest degree of cooperativity. In contrast, a suitable anisotropic potential energy fun...

Thermodynamic analysis provides access to the determinants of binding affinity, enthalpy and entropy. In fragment-based drug discovery (FBDD), thermodynamic analysis provides a powerful tool to discriminate fragments based on their potential for successful optimization. The thermodynamic data generated by FBDD studies can in turn be used to better understand the forces that drive biomolecular i...

The ability to construct molecular motifs with predictable properties in aqueous solution requires an extensive knowledge of the relationships between structure and energetics. The design of metal binding motifs is currently an area of intense interest in the bioorganic community. To date synthetic motifs designed to bind metal ions lack the remarkable affinities observed in biological systems....

A new and promising development in the field of computer simulation of molecular systems is the so-called thermodynamic cycle integration technique, which combines well-known results from statistical thermodynamics with powerful computer simulation methods. The basic formulas, the development and the applications in the areas of drug design, protein engineering and conformational analysis of th...

Quantum thermodynamics addresses the emergence of thermodynamic laws from quantum mechanics. The viewpoint advocated is based on the intimate connection of quantum thermodynamics with the theory of open quantum systems. Quantum mechanics inserts dynamics into thermodynamics, giving a sound foundation to finite-time-thermodynamics. The emergence of the 0-law, I-law, II-law and III-law of thermod...