Search for dissertations about: "Bio-inorganic Interfaces"

Found 2 swedish dissertations containing the words Bio-inorganic Interfaces.

2. 1. Atomistic simulations of structural and dynamical properties of liquids under geometric constraints

   Author : Lorenzo Agosta; Alexander Lyubartsev; Marialore Sulpizi; Stockholms universitet; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; liquid; contraint; TiO2; surfaces; bio-inorganic; molecular dynamic; ab-initio; tight-binding; DFT; metadynamic; free energy; nanoparticles; water; amino acids; adsorption; mesophases; hexatic; smectic; triply periodic network; Fddd; fysikalisk kemi; Physical Chemistry;

   Abstract : The statistical-mechanical description of liquids represents a formidable problem in physic due to the absence of the analytical theory of the liquid state. Atomistic simulations represent a unique source of information in this respect and can be implemented in order address macroscopically measurable liquid properties, including its structure and dynamics, based on the information of the interactions between its constituent molecules. READ MORE

4. 2. Modelling Biomolecular Interactions of Protein Solutions : Combining Theories and Experiments

   Author : Marco Polimeni; Beräkningskemi; []
   Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular modelling; Protein Solutions; Bio-inorganic Interfaces; Coarse-Grained Models; All-Atom Models; MC simulations; MD simulations; Light Scattering LS ; Small-angle X-ray scattering SAXS ;

   Abstract : Nowadays, interactions of proteins in salt solutions and at the interface with inorganic surfaces are widely investigated as their understanding has numerous applications in medical, pharmaceutical, and biotechnological industries. However, studying these interactions is a complex task that requires appropriate strategies. READ MORE