Sökning: "Molecular structure"

Visar resultat 1 - 5 av 2187 avhandlingar innehållade orden Molecular structure.

  1. 1. Protein structure prediction : Zinc-binding sites, one-dimensional structure and remote homology

    Författare :Nanjiang Shu; Sven Hovmöller; Bruce Donald; Geoff Barton; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; protein structure prediction; zinc-binding; profile; homology detection; shape string; Bioinformatics; Bioinformatik; Molecular biology; Molekylärbiologi; Biochemistry; Biokemi; Structural Chemistry; strukturkemi;

    Sammanfattning : Predicting the three-dimensional (3D) structure of proteins is a central problem in biology. These computationally predicted 3D protein structures have been successfully applied in many fields of biomedicine, e.g. family assignments and drug discovery. LÄS MER

  2. 2. Molecular Electronics : A Theoretical Study of Electronic Structure of Bulk and Interfaces

    Författare :Mikael Unge; Sven Stafström; Mads Brandbyge; Linköpings universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; molecular electronics; electron transport; disorder; localization; long-range correlation; organometallic magnets; interface dipole; Computational physics; Beräkningsfysik;

    Sammanfattning : This thesis deals with theoretical studies of the electronic structure of molecules used in the context of molecular electronics. Both studies with model Hamiltonians and first principle calculations have been performed. LÄS MER

  3. 3. Borrelia channel-forming proteins : structure and function

    Författare :Ignas Bunikis; Sven Bergström; Steven Norris; Umeå universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Borrelia; Lume disease; relapsing fever; BesC; drug efflux; DipA; P66; porins; Molecular biology; Molekylärbiologi; molekylärbiologi; Molecular Biology;

    Sammanfattning : Borrelia is a Gram-negative, corkscrew-shaped bacterium transmitted by infected ticks or lice. Borreliae are subdivided into pathogens of two diseases: Lyme disease, caused mainly by B. burgdorferi, B. afzelii and B. LÄS MER

  4. 4. Molecular filtration : the study of adsorbents

    Författare :Ebenezer Twumasi; Christer Sjöström; Paolo Tronville; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; adsorbents; activated carbon; alumina; MgCa-silica; carbon-silica composite; characterization; porous parameters; molecular filtration; Other civil engineering and architecture; Övrig samhällsbyggnadsteknik och arkitektur;

    Sammanfattning : Adsorbent materials for gas purification have been studied and developed for application in many areas. It is known that a single adsorbent may not adequately control multiple contaminants. Therefore, the development of adsorbent materials has accelerated over the past two decades, and is today an area attracting a lot of attention. LÄS MER

  5. 5. Structure, Dynamics and Thermodynamics of Liquid Water : Insights from Molecular Simulations

    Författare :Kjartan Thor Wikfeldt; Lars G. M. Pettersson; Francesco Sciortino; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Liquid water; supercooled water; diffraction; structure modeling; molecular dynamics; x-ray spectroscopy; EXAFS; SAXS; Physics; Fysik; Theoretical Physics; teoretisk fysik;

    Sammanfattning : Water is a complex liquid with many unusual properties. Our understanding of its physical, chemical and biological properties is greatly advanced after a century of dedicated research but there are still many unresolved questions. LÄS MER