Sökning: "Homology modeling"

Visar resultat 1 - 5 av 39 avhandlingar innehållade orden Homology modeling.

  1. 1. Function via structure in vivo and in modeling

    Författare :Johan Unge; Biokemi och Strukturbiologi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; medical informatics; Bioinformatics; L1.; protein synthesis; L22; crýstallography; structure core database; threading; Structural bioinformatics; homology recognition; biomatematik; medicinsk informatik; biomathematics biometrics; Bioinformatik;

    Sammanfattning : Knowledge of biomolecules three-dimensional structure has provided a detailed understanding of their function. In recent years the number of new protein sequences has far exceeded the number of protein experimental structure determinations. LÄS MER

  3. 2. Modelling of melanocortin receptors and their ligands

    Författare :Peteris Prusis; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical biosciences; melanocortin; G-protein coupled receptor; modeling; three-dimensional; QSAR; chemometrics; Farmaceutisk biovetenskap; Biopharmacy; Biofarmaci; farmaceutisk farmakologi; Pharmaceutical Pharmacology;

    Sammanfattning : Five subtypes of melanocortin receptors (MC1-MC5R) mediate a wide range of physiological actions, including control of skin tanning, inflammation and food intake. The natural ligands for these receptors are the melanocortins, which are linear peptides 11 to 39 amino acids long. LÄS MER

  4. 3. Advances in Ligand Binding Predictions using Molecular Dynamics Simulations

    Författare :Henrik Keränen; Johan Åqvist; Jordi Villà i Freixa; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; free-energy perturbation; molecular dynamics; ligand binding; free-energy perturbation; linear interaction energy; binding free-energy; homology modeling; virtual screening; alanine scanning; amino acid mutagenesis; hERG; GPCR; adenosine receptor; serotonin receptor; BRICHOS; cruzain;

    Sammanfattning : Biochemical processes all involve associations and dissociations of chemical entities. Understanding these is of substantial importance for many modern pharmaceutical applications. In this thesis, longstanding problems with regard to ligand binding are treated with computational methods, applied to proteins of key pharmaceutical importance. LÄS MER

  5. 4. Computational Modeling of the AT2 Receptor and AT2 Receptor Ligands : Investigating Ligand Binding, Structure–Activity Relationships, and Receptor-Bound Models

    Författare :Christian Sköld; Anders Karlén; Anders Hallberg; Torbjörn Lundstedt; Tommy Liljefors; Uppsala universitet; []
    Nyckelord :Pharmaceutical chemistry; Angiotensin II; AT1; AT2; SAR; bioactive conformation; turn mimetic; peptidomimetic; DISCO; homology model; 3D-QSAR; CoMFA; Farmaceutisk kemi;

    Sammanfattning : Rational conversion of biologically active peptides to nonpeptide compounds with retained activity is an appealing approach in drug development. One important objective of the work presented in this thesis was to use computational modeling to aid in such a conversion of the peptide angiotensin II (Ang II, Asp-Arg-Val-Tyr-Ile-His-Pro-Phe). LÄS MER

  7. 5. Structural and functional studies of novel viral complement inhibitors

    Författare :Linda Mark; Malmö Klinisk kemi; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; transplantation; serologi; serology; Kaposi s sarcoma-associated herpesvirus; Immunologi; Immunology; homology modeling; complement inhibitor;

    Sammanfattning : Viruses have developed several strategies to evade the complement system, a part of the immune system. The fourth open reading frame of the human virus Kaposi's sarcoma-associated herpesvirus (KSHV) encodes a type 1 transmembrane protein. LÄS MER