Search for dissertations about: "electrostatics"

Showing result 1 - 5 of 34 swedish dissertations containing the word electrostatics.

  1. 1. Electrostatics in lipid membranes : a computer simulation study

    Author : Jakob Wohlert; KTH; []
    Keywords : molecular dynamics; lipid bilayers; pme; Dipole interaction;

    Abstract : .... READ MORE

  2. 2. Meso-scale modelling of composites and semi-crystalline polymers

    Author : Fritjof Nilsson; Mikael Hedenqvist; Ulf Gedde; Hans Ågren; Göran Grimvall; KTH; []
    Keywords : ENGINEERING AND TECHNOLOGY; TEKNIK OCH TEKNOLOGIER; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES; semi-crystalline polymers; simulations; diffusion; electrostatics; Materials science; Teknisk materialvetenskap; Applied mathematics; Tillämpad matematik; Polymer chemistry; Polymerkemi;

    Abstract : This thesis covers the first few steps of a multi-scale computer simulation strategy for predicting physical properties of complex polymers like composites and semi-crystalline polymers. Meso-scale simulations of crystallization and solvent diffusion in polyethylene as well as simulations examining the geometrical impact on the effective permittivity of composites have been performed. READ MORE

  3. 3. Concentrated DNA-amphiphiles Structure, Hydration, and Dynamics

    Author : Cecilia Leal; Fysikalisk kemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; amphiphiles; DNA; Physical chemistry; diffusion NMR; solid-state NMR; electrostatics; dynamics; local order; Fysikalisk kemi; hydration;

    Abstract : The structure, hydration, and dynamics of concentrated DNA-amphiphile complexes were investigated by small-angle X-ray diffraction, sorption calorimetry, and nuclear magnetic resonance. A concentrated, electroneutral, DNA-amphiphile complex can be formed by mixing charge-stoichiometric solutions. READ MORE

  4. 4. Diffusive interactions play an important role in protein stability and mobility : Investigations of the intracellular milieu using in-cell NMR

    Author : Therese Sörensen; Mikael Oliveberg; Per Jemth; Stockholms universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; in-cell NMR; protein-protein interactions; mobility; stability; thermodynamics; Nuclear Magnetic Resonance; stopped-flow spectroscopy; proteins; SOD1; HAH1; TTHA1718; cells; cytoplasm; humans; bacteria; ions; polyions; electrostatics; biokemi; Biochemistry;

    Abstract : Proteins are crucial for all cellular life. Every signal received by a cell, and every response to it, is mediated by proteins. Inside cells, these proteins diffusively sample each other’s surfaces, as they travel through the cytoplasm in search of their specific interaction partners. READ MORE

  5. 5. Protein Interactions: Electrostatics and Ligand Binding

    Author : Ingemar André; Biofysikalisk kemi; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular biophysics; Molekylär biofysik; secondary structure formation; protein GB1; pKa values; pH stability; NMR; electrostatic interactions; M proteins; calbindin D9k; calcium binding; cooperativity; calmodulin; calbindin D28k;

    Abstract : This thesis deals with Ca2+ binding to proteins, electrostatic interactions in and between proteins as well as inter- and intramolecular interactions. A computer program was developed to determine Ca2+ binding constants from experimental titration data of proteins. READ MORE