Sökning: "in silico modeling"

Visar resultat 21 - 25 av 34 avhandlingar innehållade orden in silico modeling.

  1. 21. The MHC genes: variation and impact on life-history traits in house sparrwos

    Författare :Maria Karlsson; MEMEG; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; MHC-I; house sparrow; 454-amplicon sequencing; cDNA; functional clustering; trans-species evolution; nestling survival; mate-choice;

    Sammanfattning : In birds the major histocompatibility complex (MHC) organization differs both among and within orders. Galliformes often have simple arrangements with few transcribed MHC genes whilst many songbirds (Passeriformes) have a complex arrangement with many MHC genes and also presence of pseudo-genes. LÄS MER

  3. 22. Modeling and exploring human IRE1 as a strategy to design novel inhibitors: a computational approach

    Författare :Antonio Carlesso; Göteborgs universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; ER stress; unfolded protein response; cancer; inflammation; neurodegeneration; therapeutic targets; molecular docking; molecular dynamics;

    Sammanfattning : Inositol Requiring Enzyme 1 (IRE1) is a bifunctional serine/threonine kinase and endoribonuclease that is the major mediator of the Unfolded Protein Response (UPR) during endoplasmic reticulum (ER) stress. The association of IRE1 dysregulation with a wide range of human diseases, stimulated research towards the discovery of small organic molecules able to modulate IRE1 signalling, and to potentially be used as novel therapeutics. LÄS MER

  4. 23. Design and synthesis of rhodium and iridium bis-η2 diolefin catalysts: : Applications in C–C bond formation and asymmetric catalysis

    Författare :Michaela Melcher; Centrum för analys och syntes; []
    Nyckelord :catalysis; transition metal; ligand design; enantioselectivity; cycloadditions;

    Sammanfattning : This thesis deals with the design and synthesis of rhodium and iridium bis-η2 diolefin catalysts and their applications in C–C bond formation and asymmetric catalysis.More specifically, the second chapter describes the development of inter- and intramolecular (5+2) cycloadditions catalyzed by cationic iridium(I) complexes that lead to the formation of seven-membered rings in a single step. LÄS MER

  5. 24. Preclinical X-ray imaging beyond attenuation contrast

    Författare :Kian Shaker; Hans Hertz; Anna Burvall; Bert Müller; KTH; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Fysik; Physics; Biological and Biomedical Physics; Biologisk och biomedicinsk fysik;

    Sammanfattning : Medical imaging is a cornerstone of modern clinical practice. Here, X-ray imaging is the given choice for rapid morphological imaging with excellent spatial resolution, albeit with sensitivity often insufficient for resolving subtle pathological changes to soft tissues. LÄS MER

  7. 25. Nutraceuticals based computational medicinal chemistry

    Författare :Kayathri Rajarathinam; Hans Ågren; Alexander Lyubartsev; Yaoquan Tu; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : In recent years, the edible biomedicinal products called nutraceuticals have been becoming more popular among the pharmaceutical industries and the consumers. In the process of developing nutraceuticals, in silico approaches play an important role in structural elucidation, receptor-ligand interactions, drug designing etc. LÄS MER