We demonstrate a calculated alpha-helix peptide folding energy landscape which accurately simulates the first experimentally measured alpha-helix melting energy landscape. We examine a 21-amino acid, mainly polyalanine peptide and calculate the free energy along the Psi Ramachandran angle secondary folding coordinate. The experimental free energy landscape was determined using UV resonance Rama...

An investigation of the weak coupling region of 2D SU (N) spin models is presented. An expansion of the free energy and correlation functions at low temperatures is performed in the link formulation with periodic boundary conditions (BC). The resulting asymptotics is shown to be nonuniform in the volume for the free energy.

A free energy form compatible with the F point of the trigonal D~d(R 3c) symmetry is constructed. It is a function of the order parameter. elastic strain. and the stress. The resulting free energy exhibits a close formalistic analogy to the stressed cubic perovskite structures and their associated multicriticality.

We investigate phase transitions in three dimensional scalar matrix models, with special emphasis on complex 2×2 matrices. The universal equation of state for weak first order phase transitions is computed. We also study the coarse grained free energy. Its dependence on the coarse graining scale gives a quantitative criterion for the validity of the standard treatment of bubble nucleation.

The quantization in quadratic order of the Hitchin functional, which defines by critical points a Calabi-Yau structure on a six-dimensional manifold, is performed. The conjectured relation between the topological B-model and the Hitchin functional is studied at one loop. It is found that the genus one free energy of the topological B model disagrees with the one-loop free energy of the minimal ...

Consider an equilibrium reaction aA+ bB ⇀↽ cC+ dD We do not specify any phases, as we will treat the reaction generally using activities. An equilibrium reaction is one that can proceed in both directions, as indicated by the ⇀↽ symbol replacing the usual −→ in the chemical equation. Recall that the molar free energy ∆Ḡj for compound j in the reaction in terms of its activity aj as ∆Ḡ = ∆Ḡ◦ +RT...

We present two rigorous results on the Sherrington-Kirkpatrick mean eld model for spin glasses, proven by elementary methods, based on properties of uctuations, with respect to the external quenched noise, of the thermodynamic variables and order parameters. The rst result gives the uniform convergence of the quenched average of the free energy in the thermodynamic limit to its annealed approxi...

Consider a classical system in contact with a constant temperature heat bath where some degree of freedom of the system can be controlled. Manipulation of this degree of freedom results in an expenditure of some amount of work, a change in the energy and free energy of the system, and an exchange of heat with the bath. Let 1 be a parameter specifying the current value of the controllable degree...

Based on the concept of free energy, we give a Hamiltonian formulation for the torsion dynamics of macromolecules. The appropriate reaction coordinates for the free energy calculations are deened in terms of soft constraints as introduced in 3] and 14]. We consider a few simpliications that allow one to calculate the free energy analytically and to write the corresponding equations of motion as...