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Starting from a disordered aggregate, we have simulated the formation of ordered amyloid-like beta structures in a system formed by 18 polyvaline chains in explicit solvent, employing molecular dynamics accelerated by bias-exchange metadynamics. We exploit ...
This work is devoted to the study, the development, and the application of a new systematic method yielding the dominant correlations that govern a quantum many-body state in an unbiased way. The dominant correlations between any two disjoint blocks of a s ...
Anew, to our knowledge, group contribution method based on the group contribution method of Mavrovouniotis is introduced for estimating the standard Gibbs free energy of formation (Delta(f)G'(degrees)) and reaction (Delta(r)G'(degrees)) in biochemical syst ...
The evolution of surface tension during polymerization of three amine-cured epoxy systems was investigated. Due to the chemical reaction of the epoxy groups with primary and secondary amines, the energetic status of an epoxyamine system increased during p ...
Recently, entropy measures at different stages of recognition have been used in automatic speech recognition (ASR) task. In a recent paper, we proposed that formant positions of a spectrum can be captured by multi-resolution spectral entropy feature. In th ...
The modeling platform µic has been extended to study the hydration of cement based systems. It is shown that the hydration kinetics of alite can be described through the implementation of two mechanisms: a solution controlled dissolution (SCD) mechanism fo ...
Within the thermodynamic Gibbs potential the theoretical consideration is given for possibility of forming a vortex line in superconducting particles of different shapes having the transverse size smaller than the penetration depth. The expressions are obt ...
In this article, we will demonstrate a novel optical imaging device that can be directly integrated into a microfluidic network, and therefore enables on-chip imaging in a microfluidic system. This micro imaging device, termed optofluidic microscope (OFM) ...
Recently, entropy measures at different stages of recognition have been used in automatic speech recognition (ASR) task. In a recent paper, we proposed that formant positions of a spectrum can be captured by multi-resolution spectral entropy feature. In th ...
Major urinary protein (MUP) is a pheromone-carrying protein of the lipocalin family. Previous studies by isothermal titrn. calorimetry (ITC) show that the affinity of MUP for the pheromone 2-methoxy-3-isobutylpyrazine (IBMP) is mainly driven by enthalpy, w ...
