Sökning: "ion binding"

Visar resultat 1 - 5 av 222 avhandlingar innehållade orden ion binding.

1. 1. Challenges in Computational Biochemistry: Solvation and Ligand Binding

   Författare :Jens Carlsson; Johan Åqvist; Chris Reynolds; Uppsala universitet; []
   Nyckelord :Molecular biology; computer simulations; molecular dynamics; solvation free energy; Generalized-Born; Poisson-Boltzmann; ligand binding; binding free energy; linear interaction energy; binding entropy; hydration entropy; Molekylärbiologi;

   Sammanfattning : Accurate calculations of free energies for molecular association and solvation are important for the understanding of biochemical processes, and are useful in many pharmaceutical applications. In this thesis, molecular dynamics (MD) simulations are used to calculate thermodynamic properties for solvation and ligand binding. LÄS MER

3. 2. Shaking the EF-Hand. Dynamics and Ion-Binding to Calmodulin and Calbindin D9k

   Författare :Anders Malmendal; Biofysikalisk kemi; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; magnesium; line shape; ion binding; EF-hand; cooperativity; conformational exchange; chemical shift; calmodulin; calcium; calbindin D9k; allostery; backbone dynamics; NMR; relaxation; Physical chemistry; Fysikalisk kemi;

   Sammanfattning : The work described in this thesis represents a biophysical approach, mainly using nuclear magnetic resonance (NMR) spectroscopy, to investigate the impact of magnesium ions on the EF-hand calcium-binding proteins calmodulin and calbindin D9k, as well as the dynamics of these proteins at low calcium levels. The x-ray structure of magnesium-saturated calbindin D9k shows a magnesium ion in only one of the two ion binding sites. LÄS MER

4. 3. Characterizing ions in solution by NMR methods

   Författare :Marianne Giesecke; István Furó; Peter Griffiths; KTH; []
   Nyckelord :electrophoretic NMR; diffusion NMR; NMR imaging; ion pairing; ion association; polyethylene oxide; metal-ion complex; Li ion batteries; electrolyte characterization; Kemi; Chemistry;

   Sammanfattning : NMR experiments performed under the effect of electric fields, either continuous or pulsed, can provide quantitative parameters related to ion association and ion transport in solution.  Electrophoretic NMR (eNMR) is based on a diffusion pulse-sequence with electric fields applied in the form of pulses. LÄS MER

5. 4. Om betydelsen av böckers utseende : det svenska förlagsbandets framväxt och etablering under perioden 1840–1914 med särskild hänsyn till dekorerade klotband : en studie av bokbandens formgivning, teknik och relation till frågor om modernitet och materiell kultur

   Författare :Kristina Lundblad; digitala kulturer samt förlags- och bokmarknadskunskap Avdelningen för ABM; []
   Nyckelord :HUMANIORA; HUMANITIES; Bookbinding; Book Design; Book History; Publishers’ bindings; Publishers’ Cloth; Material Culture; Form; Modernity; Materiality; Mass Individualism; Edition Binding; 19th Century; Book Binding Machines; Industrialization; Title Specific Binding; Binding Practise; Tactility; Haptic Vision; Simmel; Aesthetics and Economy; Aesthetics and Tecnique; Interaction; Book Market; Cultural History; Cloth; Book Trade; The History of the Book; Mechanization; Production of Meaning; Peder Herzog; Blocking Press; Book Case; Book Porduction; Book Production History; Consumer Society; History of Consumer Society; History of Book Design; Ornament; 19th Century Interior Decoration; Reading and the Book; Bookbindings of Bonnier; the Physical Aspects of Books and Reading;

   Sammanfattning : This study traces the history of publishers’ cloth-bindings in Sweden, and places them in relation to the emergence of modernity. The interaction between techno-logy, economics and aesthetics is central to the analysis, in which a sociological approach is combined with per-spectives of book history and material culture studies. LÄS MER

7. 5. Advances in Ligand Binding Predictions using Molecular Dynamics Simulations

   Författare :Henrik Keränen; Johan Åqvist; Jordi Villà i Freixa; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; free-energy perturbation; molecular dynamics; ligand binding; free-energy perturbation; linear interaction energy; binding free-energy; homology modeling; virtual screening; alanine scanning; amino acid mutagenesis; hERG; GPCR; adenosine receptor; serotonin receptor; BRICHOS; cruzain;

   Sammanfattning : Biochemical processes all involve associations and dissociations of chemical entities. Understanding these is of substantial importance for many modern pharmaceutical applications. In this thesis, longstanding problems with regard to ligand binding are treated with computational methods, applied to proteins of key pharmaceutical importance. LÄS MER