Sökning: "biomolecular titration."

Hittade 3 avhandlingar innehållade orden biomolecular titration..

  1. 1. Statistical Mechanical Studies of Aqueous solutions and Biomolecular Systems

    Författare :Fernando Luis Barroso Da Silva; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; highly charged macromolecules; dielectric discontinuity; dissociation constant; Tanford-Kirkwood model; protein mutation; electrostatic interactions; chemical potential; titration; biomolecules; computer simulations; radial distribution function; electrolyte solutions; continuum model.; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi;

    Sammanfattning : This thesis is concerned with theoretical studies of aqueous solutions and biomolecular systems. Part of the present work is to understand equilibrium solvent and solute properties, while the other part is to study processes that occur in these solutions. LÄS MER

  3. 2. 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

  4. 3. Solubility Modelling in Condensed Matter. Dielectric Continuum Theory and Nonlinear Response

    Författare :Lars Sandberg; KTH; []
    Nyckelord :Dielectric saturation; modified Langevin-Debye theory; screened Coulomb potential; electrostriction; implicit solvation model; hydration free energy; hydrophobicity; partition coefficient; pKa; biomolecular titration.;

    Sammanfattning : .... LÄS MER