Search for dissertations about: "coarse-grained modeling"
Showing result 1 - 5 of 15 swedish dissertations containing the words coarse-grained modeling.
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1. Anisotropic Protein Interactions in Salt Solutions and at Interfaces: Coarse Grained Modeling
Abstract : Anisotropic protein interactions have a strong orientation dependence resulting from an uneven distribution of charged and hydrophobic residues on the protein surface. They play an important role in protein behaviors such as protein association, surface adsorption and phase separation. READ MORE
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2. Modeling and simulation of intrinsically disordered proteins
Abstract : This work is primarily about the development, validation and application of computer simulation models for intrinsically disordered proteins, both in solution and in the presence of uniformly charged, ideal surfaces. The models in question are either coarse-grained or atomistic in nature, and their applications are dependent on the specific purpose of each study. READ MORE
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3. Electrostatically Driven Structure Formation in Clay Dispersions
Abstract : Clay minerals consist of clay platelets, which are anisotropic in both size and charge, and these can form a lamellar structure depending on the size, making it a seemingly perfect model system for an electrical double layer. The situation is however, from a structural point, slightly less ideal. READ MORE
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4. Fighting microbial infections with force fields: Evaluating conformational ensembles of intrinsically disordered proteins
Abstract : The main goal of this compilation thesis has been to investigate the conformational ensemble of the intrinsically disordered protein (IDP) histatin 5 by using a mixture of experimental and computational techniques including, but not limited to, small-angle X-ray scattering (SAXS), circular dichroism (CD) spectroscopy, atomistic molecular dynamics (MD) simulations, and coarse-grained Monte Carlo (MC) simulations. Histatin 5 is a peptide of particular interest for two reasons. READ MORE
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5. Molecular Modeling of Cardiolipin
Abstract : Biological membranes are assembled from many different lipids. Our understanding of membrane function and morphology is dependent on linking the properties of the lipids to the properties of the membranes. READ MORE