Sökning: "Biochemistry with Emphasis on Theoretical Chemistry"

Visar resultat 1 - 5 av 10 avhandlingar innehållade orden Biochemistry with Emphasis on Theoretical Chemistry.

  1. 1. Modeling of voltage-gated ion channels

    Detta är en avhandling från Stockholm : Department of Biochemistry and Biophysics. Stockholm University

    Författare :Pär Bjelkmar; Stockholms universitet.; [2011]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular modeling; Molecular dynamics; Voltage-gating; Ion channels; Protein structure prediction; NATURAL SCIENCES Chemistry; NATURVETENSKAP Kemi; biokemi; inriktning teoretisk kemi; Biochemistry with Emphasis on Theoretical Chemistry;

    Sammanfattning : The recent determination of several crystal structures of voltage-gated ion channels has catalyzed computational efforts of studying these remarkable molecular machines that are able to conduct ions across biological membranes at extremely high rates without compromising the ion selectivity. Starting from the open crystal structures, we have studied the gating mechanism of these channels by molecular modeling techniques. LÄS MER

  2. 2. Application of membrane protein topology prediction

    Detta är en avhandling från Stockholm : Department of Biochemistry and Biophysics, Stockholm University

    Författare :Aron Hennerdal; Stockholms universitet.; [2011]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES Chemistry Biochemistry; NATURVETENSKAP Kemi Biokemi; Biochemistry with Emphasis on Theoretical Chemistry; biokemi; inriktning teoretisk kemi;

    Sammanfattning : Membrane proteins often have essential functions in the cell and many are important drug targets, yet only a small fraction of available protein structures are of membrane proteins. Experimental techniques for elucidating membrane protein structures have proven laborious and expensive, opening the field for comparatively inexpensive computational modeling. LÄS MER

  3. 3. Infrared - X-ray pump probe spectroscopy

    Detta är en avhandling från Stockholm : KTH

    Författare :Viviane Costa Felicissimo; KTH.; [2005]
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Biochemistry; Biokemi; MEDICINE Chemistry Biochemistry; MEDICIN Kemi Biokemi;

    Sammanfattning : The present thesis concerns theoretical studies of molecular interactions investigated by infrared and X-ray spectroscopic techniques, with emphasis on using the two technologies combined in pump probe experiments. Three main types of studies are addressed: the use of near-edge X-ray absorption fine structure spectra (NEXAFS) to manifest through-bond and through-space interactions; the role of hydrogen bonding on the formation of X-ray photoelectron spectra as evidenced by simulations of the water dimer; and the development of theory, with sample applications, for infrared X-ray pump probe spectroscopy - the main theme of the thesis. LÄS MER

  4. 4. Quantum mechanical studies of ionization and electron transfer in diatomic systems O2 and H+ + H-

    Detta är en avhandling från Stockholm : KTH

    Författare :Michael Stenrup; KTH.; [2008]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURAL SCIENCES Chemistry Biochemistry; NATURVETENSKAP Kemi Biokemi;

    Sammanfattning :  The present thesis is based upon two papers concerning the core-valence double onization of molecular oxygen and mutual neutralization of H+ and H- ions at low collision energies.The former of these processes has been studied for the first time using a magnetic bottle time-of-ight electron coincidence spectrometer in combination with ab initio electronic structure calculations. LÄS MER

  5. 5. Data integration for robust network-based disease gene prediction

    Detta är en avhandling från Stockholm : Department of Biochemistry and Biophysics, Stockholm University

    Författare :Gabriel Östlund; Stockholms universitet.; [2013]
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; biokemi; inriktning teoretisk kemi; Biochemistry with Emphasis on Theoretical Chemistry;

    Sammanfattning : For many complex diseases the cause/mechanism can be tied not to a single gene and in order to cope with the complexity a systems wide approach is needed. By combining evidence indicative of functional association it is possible to infer networks of protein functional coupling. LÄS MER