Search for dissertations about: "Homology modeling"

Showing result 1 - 5 of 39 swedish dissertations containing the words Homology modeling.

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

    Author : Johan Unge; Biokemi och Strukturbiologi; []
    Keywords : 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;

    Abstract : 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. READ MORE

  4. 2. Modelling of melanocortin receptors and their ligands

    Author : Peteris Prusis; Uppsala universitet; []
    Keywords : 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;

    Abstract : 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. READ MORE

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

    Author : Henrik Keränen; Johan Åqvist; Jordi Villà i Freixa; Uppsala universitet; []
    Keywords : 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;

    Abstract : 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. READ MORE

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

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

    Abstract : 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). READ MORE

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

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

    Abstract : 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. READ MORE