Search for dissertations about: "computer-simulations"
Showing result 1 - 5 of 295 swedish dissertations containing the word computer-simulations.
-
1. Computer Simulations of Polymer Gels : Structure, Dynamics, and Deformation
Abstract : This thesis presents the results of computer simulation studies of the structure, dynamics, and deformation of cross-linked polymer gels. Obtaining a fundamental understanding of the interrelation between the detailed structure and the properties of polymer gels is a challenge and a key issue towards designing materials for specific purposes. READ MORE
-
2. Computer Simulations in Materials Physics: Time-scales and Accuracy
Abstract : Computer simulations are expected to play an increasingly important role within materials physics in the future. Owing to a combination of accurate physical approximations, improved implementations of these approximations, and the exponentially increasing power of computers, problems can now be solved on length and time-scales which were unimaginable only a decade ago. READ MORE
-
3. Computer Simulations of Membrane–Sugar Interactions
Abstract : Carbohydrate molecules are essential parts of living cells. They are used as energy storage and signal substances, and they can be found incorporated in the cell membranes as attachments to glycoproteins and glycolipids, but also as free molecules. READ MORE
-
4. Computer Simulations of Heterogenous Biomembranes
Abstract : Molecular modeling has come a long way during the past decades and in the current thesis modeling of biological membranes is the focus. The main method of choice has been classical Molecular Dynamics simulations and for this technique a model Hamiltonian, or force field (FF), has been developed for lipids to be used for biological membranes. READ MORE
-
5. Computer simulations of ribosome reactions
Abstract : Peptide bond formation and translational termination on the ribosome have been simulated by molecular mechanics, free energy perturbation, empirical valence bond (MD/FEP/EVB) and automated docking methods. Recent X-ray crystallographic data is used here to calculate the entire free energy surface for the system complete with substrates, ribosomal groups, solvent molecules and ions. READ MORE