Globular protein çözeltilerinde etkin etkileşme potansiyelleri
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Date
2010
Authors
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Publisher
Trakya Üniversitesi Fen Bilimleri Enstitüsü
Access Rights
info:eu-repo/semantics/openAccess
Abstract
Bu çalışmada temeli kısa-menzilli, merkezi makro atomlar arasındaki çiftler etkileşme potansiyeli temsiline dayanan globular protein çözelti modelinde teorik ve simülasyon çalışmaları incelenmiştir. İlk olarak, Derjaguin ve Landau, Verwey ve Overbeek (DLVO), genelleştirilmiş Lenard-Jones ve Girifalco gibi etkileşme model potansiyelleri ile C60 için literatürde yapılan araştırmalar gözden geçirilmiştir. Globular protein çözeltilerinde makro parçacıklar arasındaki etkileşmeleri; kısa menzilli, merkezi, çiftler potansiyelleri kullanarak tanımlayan Pellicane-Costa-Caccamo (PCC) modeli incelenmiştir. Prototip Globular protein çözeltilerinden, lysozyme çözeltilerini ele alarak kısa menzilli etkileşme potansiyellerine ve sıvıhal teorilerinden VMHNC'ye dayanan bir model oluşturulmuş sistemin statik yapı faktörleri ve radyal dağılım fonksiyonları hesaplanmıştır. Bu amaçla lisozim katkılı globular protein çözeltileri için Girifalco, Yukawa, Modifiye Lennard-Jones, DLVO model potansiyelleri ile VMHNC yaklaşımını kullanarak hesaplanan yapı sonuçları daha önceki PCC modeli sonuçları ve MD ile karşılaştırılmıştır.
Abstract
In this work, it was investigated the theoretical and simulation studies of the globular solution model based on short-range, central the pair potential representations of the interaction among macro-atoms. Firstly, we have examined the literature for the studies of C60 with the interaction model potentials such as DLVO, generalized Lennard-Jones and Girifalco. Then, the Pellicane-Costa-Caccomo (PCC) model of globular protein solutions based on short-range, central the pair potential representations of the interaction among macro-particles is investigated. We have proposed a model for Prototype like globular protein solutions as Lysozme solutions using short range interaction potentials with one of the liquid state theories as VMHNC inorder to calculate the static sructure factors and radial distribution functions of the system. The computed structural results using Girifalco, Yukawa, Modified LJ and DLVO potential with VMHNC approximation have been compared with those obtained by PCC model and MD results.
Abstract
In this work, it was investigated the theoretical and simulation studies of the globular solution model based on short-range, central the pair potential representations of the interaction among macro-atoms. Firstly, we have examined the literature for the studies of C60 with the interaction model potentials such as DLVO, generalized Lennard-Jones and Girifalco. Then, the Pellicane-Costa-Caccomo (PCC) model of globular protein solutions based on short-range, central the pair potential representations of the interaction among macro-particles is investigated. We have proposed a model for Prototype like globular protein solutions as Lysozme solutions using short range interaction potentials with one of the liquid state theories as VMHNC inorder to calculate the static sructure factors and radial distribution functions of the system. The computed structural results using Girifalco, Yukawa, Modified LJ and DLVO potential with VMHNC approximation have been compared with those obtained by PCC model and MD results.
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Keywords
Globular Protein, Protein Çözeltileri, Globular Protein, Protein Solutions
