Search for dissertations about: "molecular dynamics simulation"
Showing result 16 - 20 of 187 swedish dissertations containing the words molecular dynamics simulation.
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16. Deformation of cellulose allomorphs studied by molecular dynamics
Abstract : Cellulose-based materials draw their good mechanical properties from the cellu-lose crystal. Improved understanding of crystal properties could lead to a wider range of applications for cellulose-based materials, Cellulose crystals show high axial Youngs modulus. READ MORE
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17. Protein-water interactions studied by molecular dynamics simulations
Abstract : Most proteins have evolved to function optimally in aqueous environments, and the interactions between protein and water therefore play a fundamental role in the stability, dynamics, and function of proteins. Although we understand many details of water, we understand much less about the protein-water interface. READ MORE
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18. Modified Glycopeptides Targeting Rheumatoid Arthritis : Exploring molecular interactions in class II MHC/glycopeptide/T-cell receptor complexes
Abstract : Rheumatoid arthritis (RA) is an autoimmune inflammatory disease that leads to degradation of cartilage and bone mainly in peripheral joints. In collagen-induced arthritis (CIA), a mouse model for RA, activation of autoimmune CD4+ T cells depends on a molecular recognition system where T-cell receptors (TCRs) recognize a complex between the class II MHC Aq protein and CII259-273, a glycopeptide epitope from type II collagen (CII). READ MORE
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19. Electrostatics in lipid membranes : a computer simulation study
Abstract : .... READ MORE
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20. Variance Reduction in Analytical Chemistry : New Numerical Methods in Chemometrics and Molecular Simulation
Abstract : This thesis is based on five papers addressing variance reduction in different ways. The papers have in common that they all present new numerical methods. READ MORE