Sökning: "NATURVETENSKAP Kemi Teoretisk kemi Bioinformatik"

Visar resultat 6 - 10 av 16 avhandlingar innehållade orden NATURVETENSKAP Kemi Teoretisk kemi Bioinformatik.

  1. 6. Protein modelling by the zipping and assembly method with limited NMR-derived constraints

    Författare :Maryana Wånggren; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Molecular dynamics simulations; protein folding; constraints;

    Sammanfattning : Molecular dynamics simulations, often combined with simulated annealing, are commonly used when calculating structural models of proteins, e.g. based on NMR experiments. However, one is often faced with limited and, sometimes, insufficient information for determining a well-resolved 3D structure. LÄS MER

  3. 7. Structural dynamics of ribulose-1,5-bisphosphate carboxylase/oxygenase

    Författare :Michiel Van Lun; Sveriges lantbruksuniversitet; Sveriges lantbruksuniversitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : Ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) assimilates carbon dioxide (CO2) from air into biomass. Due to its slow turnover, the reaction is a rate-limiting step in photosynthetic carbon fixation. LÄS MER

  4. 8. Calculations of Reaction Mechanisms and Entropic Effects in Enzyme Catalysis

    Författare :Masoud Kazemi; Johan Åqvist; Per E. M. Siegbahn; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Enzyme catalysis; Entropy; Cytidine deamination; Ribosome; Peptidyl-tRNA hydrolysis; Peptide bond formation; Empirical valence bond method; Density functional theory; Biology with specialization in Structural Biology; Biologi med inriktning mot strukturbiologi; Biokemi; Biochemistry; Biology with specialization in Molecular Biotechnology; Biologi med inriktning mot molekylär bioteknik;

    Sammanfattning : Ground state destabilization is a hypothesis to explain enzyme catalysis. The most popular interpretation of it is the entropic effect, which states that enzymes accelerate biochemical reactions by bringing the reactants to a favorable position and orientation and the entropy cost of this is compensated by enthalpy of binding. LÄS MER

  5. 9. The impact of GPCR structures on understanding receptor function and ligand binding

    Författare :Anirudh Ranganathan; Jens Carlsson; György Keserű; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Biochemistry towards Bioinformatics; biokemi med inriktning mot bioinformatik;

    Sammanfattning : G protein-coupled receptors (GPCRs) form the largest superfamily of eukaryotic membrane proteins and are responsible for the action of nearly 30% of all marketed drugs. For a long period, efforts to study these receptors were limited by the paucity of atomic-resolution structural information. LÄS MER

  7. 10. 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