We describe the results obtained from an improved model for protein folding. We find that a good agreement with the native structure of a 46 residue long, five-letter protein segment is obtained by carefully tuning the parameters of the self-avoiding energy. In particular we find an improved free-energy profile. We also compare the efficiency of multidimensional replica exchange method with the...

Tempering-drying time may affect the quality of polished rice. Hence, this study aims to evaluate effect drying-tempering and air temperature relationships on physical, physicochemical, morphological qualities Herein, paddy with 20–24% (w.b.) moisture were subjected drying tempering temperatures 75–115 °C, 115–130 75–130 °C over 14 h reduce their content up 12% (w.b.). With increase in mass 49 ...

The improvement of simulations of QCD with dynamical Wilson fermions by combining the Hybrid Monte Carlo algorithm with parallel tempering is studied. As an indicator for decorrelation the topological charge is used.

We introduce the well-tempered ensemble (WTE) which is the biased ensemble sampled by well-tempered metadynamics when the energy is used as collective variable. WTE can be designed so as to have approximately the same average energy as the canonical ensemble but much larger fluctuations. These two properties lead to an extremely fast exploration of phase space. An even greater efficiency is obt...

In order to enhance the mechanical strength of Low-E glass, Fluorine-doped tin oxide (FTO) films have to be tempered at high temperatures together with glass substrates. The effects of tempering temperature (600 °C ~ 720 °C) and time (150 s ~  300 s) on the structural and electrical properties of FTO films were investigated. The results show all the films consist of non-stoichiometric, polycrys...

In this article we address the problem of the nonlinear interaction of subdiffusive particles. We introduce the random walk model in which statistical characteristics of a random walker such as escape rate and jump distribution depend on the mean density of particles. We derive a set of nonlinear subdiffusive fractional master equations and consider their diffusion approximations. We show that ...

Recent work has shown that bainitic ferrite plates produced by transformation at low temperatures can be as thin as 20 nm with a hardness in excess of 650 HV30, tensile strengthy2.3 GPa and toughnessy30 MPa m. Because these properties rely on the fine scale of the microstructure, a study has been carried out in relation to the tempering resistance of steel over the temperature range 350 – 750uC...