Sökning: "molekylär modellering"
Visar resultat 1 - 5 av 9 avhandlingar innehållade orden molekylär modellering.
1. Modelling Approaches to Molecular Systems Biology
Sammanfattning : Implementation and analysis of mathematical models can serve as a powerful tool in understanding how intracellular processes in bacteria affect the bacterial phenotype. In this thesis I have implemented and analysed models of a number of different parts of the bacterium E. coli in order to understand these types of connections. LÄS MER
2. Interactions in aqueous salt solutions : Atomistic modelling versus experiment
Sammanfattning : The research in this thesis investigates how atoms and molecules constituting aqueous salt solutions interact using computational approaches, namely Monte Carlo simulations and molecular dynamics simulations. In the first paper, an atomistic model was developed for aqueous solutions of sodium thiocyanate and potassium thiocyanate (NaSCN and KSCN). LÄS MER
3. Small and Large, Charged Molecules in Solution and at Interfaces
Sammanfattning : The influence of small and large, charged molecules on the properties of aqueous interfaces has important implications in chemistry, biology, and medicine. For example, at the surface of marine aerosols, the presence of halide anions and tropospheric gases gives way to multiphase chemical reactions affecting climate and air quality. LÄS MER
4. Modeling of inorganic ions in aqueous solution
Sammanfattning : Essentially all chemical processes and reactions occurring in the environment take place in the presence of ions. In water, ions set the conditions for how other dissolved particles interact. Ions are also directly involved in chemical reactions affecting the climate such as ozone depletion. LÄS MER
5. Preclinical X-ray imaging beyond attenuation contrast
Sammanfattning : Medical imaging is a cornerstone of modern clinical practice. Here, X-ray imaging is the given choice for rapid morphological imaging with excellent spatial resolution, albeit with sensitivity often insufficient for resolving subtle pathological changes to soft tissues. LÄS MER