Sökning: "molecular methods"

Visar resultat 21 - 25 av 1930 avhandlingar innehållade orden molecular methods.

  1. 21. Collective Excitation Dynamics in Molecular Aggregates

    Författare :Mats Dahlbom; Kemisk fysik; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry; Kemi; Fysik; Physics; computational methods; photosynthesis; femtosecond spectroscopy; Exciton; Polaron;

    Sammanfattning : The aim of this thesis is to study collective excitation dynamics in molecular aggregates. Half of the work presented here is method development and the remainder is application of these methods to several di.erent molecular aggregates. LÄS MER

  2. 22. 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

  3. 23. Reaction dynamics on highly excited states

    Författare :Johanna Brinne Roos; Åsa Larson; Ioan F. Schneider; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; ab initio calculations; dissociative recombination; resonant ion-pair formation; mutual neutralization; molecular electronic states; molecule-electron collisions; quantum chemistry; molecular dynamics; Chemical physics; Kemisk fysik; Molecular physics; Molekylfysik; kemisk fysik; Chemical Physics;

    Sammanfattning : In this thesis I have performed theoretical studies on the reaction dynamics in few-atom molecules. In particular, I have looked at reaction processes in which highly excited resonant states are involved. LÄS MER

  4. 24. Computational prediction of receptor-ligand binding affinity in drug discovery

    Författare :John Marelius; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Cell and molecular biology; computer-aided ligand design; molecular dynamics simulation; linear interaction energy; free energy perturbation; scoring function; dihydrofolate reductase; thrombin; serine proteases; Cell- och molekylärbiologi; Cell and molecular biology; Cell- och molekylärbiologi; Molecular Biotechnology; molekylär bioteknik avd f jonfysik ;

    Sammanfattning : The evaluation of inhibition constants or, more generally, receptor-ligand binding affinities is a crucial part of the drug discovery process. Chemical synthesis and affinity screening is only affordable for a limited number of compounds. This makes computational methods to predict binding affinities of candidate ligands highly desirable. LÄS MER

  5. 25. On the Design of Affibody Molecules for Radiolabeling and In Vivo Molecular Imaging

    Författare :Daniel Rosik; Amelie Eriksson Karlström; Christian Heinis; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Affibody molecule; AC DC; radionuclide molecular imaging; HER2; SPECT; PET; biodistribution; peptide synthesis; radiolabeling; SRA - Molecular Bioscience; SRA - Molekylär biovetenskap;

    Sammanfattning : Affibody molecules have lately shown great potential as tools for in vivo molecular imaging. These small, 3-helical bundles, with their highly stable protein scaffold, are well suited for the often harsh conditions of radiolabeling. LÄS MER