Two-component polypeptides modeled with effective pair potentials
Article Abstract:
Monte Carlo simulations were performed within a model based on a set of distance-dependent effective potentials, which are used to describe the interactions between a pair of distinct amino acids. The model has a reduced number of variables and its main is the use of effective pair potentials (EPPs) extracted from experimental correlation functions that were obtained from the crystallographic data of the Protein Data Bank (PDB).
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Self-organization process of ordered structures in linear and star poly(styrene)-poly(isoprene) block copolymers: Gaussian models and mesoscopic parameters of polymeric systems
Article Abstract:
Mesoscopic simulations of linear and 3-arm star poly(styrene)-poly(isoprene) block copolymers are performed using a representation of the polymeric molecular structures by means of Gaussian models. The results have validated the Gaussian chain models and mesoscopic parameters used for the polymers
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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