Sökning: "gas phase protein structure"

Visar resultat 1 - 5 av 21 avhandlingar innehållade orden gas phase protein structure.

  1. 1. Gas-Phase Protein Structure Under the Computational Microscope : Hydration, Titration, and Temperature

    Författare :Erik Marklund; David van der Spoel; Albert Heck; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics; gas phase; proteins; micelles; proton transfer; Grothuss mechanism; kinetics; Physics; Fysik; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

    Sammanfattning : Although the native environment of the vast majority of proteins is a complex aqueous solution, like the interior of a cell, many analysis methods for assessing chemical and physical properties of biomolecules require the sample to be aerosolized; that is, transferred to the gas-phase. An important example is electrospray-ionization mass spectrometry, which can provide a wide range of information about e. LÄS MER

  3. 2. Theoretical and Biochemical : Advancing Protein Structure Investigations with Complementing Computations

    Författare :Maxim N. Brodmerkel; Erik G. Marklund; Carl Caleman; Charlotte Uetrecht; Helmut Grubmüller; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics simulation; Protein structure; Structural biology; Protein hydration; Electric dipole; Collision Induced Unfolding;

    Sammanfattning : Life as we know it today would not exist without proteins. The functions of proteins for us and other organisms are linked to their three-dimensional structures. As such, protein structure investigations are a crucial contribution for understanding proteins and the molecular basis of life. LÄS MER

  4. 3. Exploring the Molecular Dynamics of Proteins and Viruses

    Författare :Daniel Larsson; David van der Spoel; Modesto Orozco; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; molecular dynamics; virus dynamics; capsid dissolution; satellite tobacco necrosis virus; satellite tobacco mosaic virus; virus genome structure; gas phase protein structure; water layer; micelle embedded protein; membrane protein; Chemistry with specialization in Biophysics; Kemi med inriktning mot biofysik;

    Sammanfattning : Knowledge about structure and dynamics of the important biological macromolecules — proteins, nucleic acids, lipids and sugars — helps to understand their function. Atomic-resolution structures of macromolecules are routinely captured with X-ray crystallography and other techniques. LÄS MER

  5. 4. Mass spectrometry in protein structure analysis

    Författare :Andreas Jonsson; Karolinska Institutet; Karolinska Institutet; []
    Nyckelord :;

    Sammanfattning : Mass spectrometry is an important analytical tool in biological and biochemical research. The speed, accuracy and sensitivity is unmatched by conventional analytical techniques. LÄS MER

  7. 5. Protein Folding and DNA Origami

    Författare :Mark Marvin Seibert; David van der Spoel; Helmut Grubmüller; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; protein folding; Molecular Dynamics simulations; DNA origami; Biophysics; Biofysik; Physics with specialization in Biophysics; Fysik med inriktning mot biofysik;

    Sammanfattning : In this thesis, the folding process of the de novo designed polypeptide chignolin was elucidated through atomic-scale Molecular Dynamics (MD) computer simulations. In a series of long timescale and replica exchange MD simulations, chignolin’s folding and unfolding was observed numerous times and the native state was identified from the computed Gibbs free-energy landscape. LÄS MER