Sökning: "Homology Modeling"

Visar resultat 21 - 25 av 39 avhandlingar innehållade orden Homology Modeling.

  1. 21. Theoretical Studies of Drug-Metabolizing Cytochrome P450 Enzymes

    Författare :Junhao Li; Yaoquan Tu; Ulf Ryde; KTH; []
    Nyckelord :Cytochrome P450 enzymes; molecular dynamics; quantum chemistry; structural flexibililty; ONIOM; Teoretisk kemi och biologi; Theoretical Chemistry and Biology;

    Sammanfattning : The family of cytochrome P450 enzymes (P450s) belongs to one of the most important enzyme families in the human body. P450s are involved in the synthesis of endogenous compounds and metabolism of exogenous substances. LÄS MER

  3. 22. Protein Structure Prediction : Model Building and Quality Assessment

    Författare :Björn Wallner; Arne Elofsson; Michael Levitt; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; protein structure prediction; proteinstrukturförutsägelse; Bioinformatics; Bioinformatik;

    Sammanfattning : Proteins play a crucial roll in all biological processes. The wide range of protein functions is made possible through the many different conformations that the protein chain can adopt. The structure of a protein is extremely important for its function, but to determine the structure of protein experimentally is both difficult and time consuming. LÄS MER

  4. 23. Theoretical Studies of Protein-Ligand Interactions

    Författare :Kuang Guanglin; Tu Yaoquan; Bulone Vincent; David van der Spoel; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Binding free energy; molecular dynamics; molecular docking; metadynamics; nicotinic receptor; amyloid fibril; PH domain; Theoretical Chemistry and Biology; Teoretisk kemi och biologi;

    Sammanfattning : The protein-ligand interaction is an important issue in rational drug design and protein function research. This thesis focuses on the study of protein-ligand interactions using various molecular modeling methods, which are used in combination to predict the binding modes and calculate the binding free energies of several important protein-ligand systems, as summarized below. LÄS MER

  5. 24. Cloning and structure-activity relationship studies of neuropeptide Y family receptors belonging to the Y1 subfamily

    Författare :Magnus M. Berglund; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Neurosciences; Neurovetenskap; Neurology; Neurologi; medicinsk farmakologi; Medical Pharmacology;

    Sammanfattning : Neuropeptide Y (NPY), peptide YY (PYY), and the pancreatic polypeptide (PP) belong to afamily of structurally related 36-amino-acid peptides. NPY acts as a neurotransmitter both inthe central and the peripheral nervous system and influences many functions includingfeeding, reproduction, and blood pressure while PYY and PP mainly act as hormones in thegut. LÄS MER

  7. 25. Molecular mechanisms and complete antigen formation in allergic contact dermatitis

    Författare :Stefan Ahlfors; Lund Dermatologi och venereologi; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; hypersensitivity; adduct; immune response.; Allergy; hapten;

    Sammanfattning : Allergic contact dermatitis (ACD) is a common T cell mediated skin disease. Small reactive organic molecules called haptens induce ACD. Haptens are not recognized by themselves, but need to bond to endogenous proteins in the skin, and processed further into complete antigens. Antigen specific T cells then recognize the resulting antigen. LÄS MER