A statistical thermodynamic model of the protein ensemble.

Application of ensemble learning techniques to model the atmospheric concentration of SO2

In view of pollution prediction modeling, the study adopts homogenous (random forest, bagging, and additive regression) and heterogeneous (voting) ensemble classifiers to predict the atmospheric concentration of Sulphur dioxide. For model validation, results were compared against widely known single base classifiers such as support vector machine, multilayer perceptron, linear regression and re...

A New Thermodynamic Approach for Protein Partitioning in Reverse Micellar Solution

Reverse micellar systems are nanofluids with unique properties that make them attractive in high selectivity separation processes, especially for biological compounds. Understanding the phase behavior and thermodynamic properties of these nanosystems is the first step in process design. Separation of components by these nanosystems is performed upon contact of aqueous and reverse micellar phase...

STATISTICAL-MECHANICAL CALCULATION OF THERMODYNAMIC PROPERTIES OF ALBITE USING A TWO-DIMENSIONAL MODEL

Tackling the Protein Folding Problem by a Generalized-Ensemble Approach with Tsallis Statistics

We review uses of Tsallis statistical mechanics in the protein folding problem. Monte Carlo simulated annealing algorithm and generalized-ensemble algorithm with both Monte Carlo and stochastic dynamics algorithms are discussed. Simulations by these algorithms are performed for a penta peptide, Met-enkephalin. In particular, for generalized-ensemble algorithms, it is shown that from only one si...

Modeling protein conformational ensembles: from missing loops to equilibrium fluctuations.

Characterizing protein flexibility is an important goal for understanding the physical-chemical principles governing biological function. This paper presents a Fragment Ensemble Method to capture the mobility of a protein fragment such as a missing loop and its extension into a Protein Ensemble Method to characterize the mobility of an entire protein at equilibrium. The underlying approach in b...

The thermodynamic limit and black hole entropy in the area ensemble

We discuss the thermodynamic limit in the canonical area ensemble used in loop quantum gravity to model quantum black holes. The computation of the thermodynamic limit is the rigorous way to obtain a smooth entropy from the counting entropy given by a direct determination of the number of microstates compatible with macroscopic quantities (the energy in standard statistical mechanics or the are...