Sökning: "structure prediction"

Visar resultat 11 - 15 av 458 avhandlingar innehållade orden structure prediction.

  1. 11. Prediction, modeling, and refinement of protein structure

    Författare :Per Larsson; Arne Elofsson; Erik Lindahl; Barry Honig; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Protein structure prediction; Multiple alignments; Quality assessment; Molecular dynamics; Implicit solvent; Refinement; Bioinformatics; Bioinformatik; Bioinformatics; Bioinformatik; Statistical mechanics; Statistisk mekanik; Biochemistry; biokemi;

    Sammanfattning : Accurate predictions of protein structure are important for understanding many processes in cells. The interactions that govern protein folding and structure are complex, and still far from completely understood. However, progress is being made in many areas. Here, efforts to improve the overall quality of protein structure models are described. LÄS MER

  3. 12. Formation stability and electronic structure of surfaces and interfaces from first principles

    Författare :Jochen Rohrer; Chalmers tekniska högskola; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; band structure; van der Waals interaction; electronic structure; graphane; graphene; atomic structure; growth; thin film; interface; density functional theory; CVD; Alumina; nucleation;

    Sammanfattning : This thesis deals with two closely interwoven aspects of first-principle(density functional theory) materials modeling:(1)~prediction of atomic structure & chemical composition,and (2)~prediction of electronic properties.In the first part, we focus on atomic structure (AS) and chemical composition (CC) of surface and interface systems. LÄS MER

  4. 13. Deciphering Carbohydrate Structure : From NMR Chemical Shifts to Conformational Analysis

    Författare :Kevin M. Dorst; Göran Widmalm; Martina Delbianco; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NMR chemical shift prediction; Structural elucidation; Conformational studies; NMR spectroscopy; MD simulations; Organic Chemistry; organisk kemi;

    Sammanfattning : Carbohydrates are ubiquitous in nature and exhibit a multitude of roles. Besides nucleic and amino acids, they can be regarded as the third alphabet of life. They are used as energy source to fuel the cells, as structural building blocks and play a key role in cellular recognition processes. LÄS MER

  5. 14. An evolutionary basis for protein design and structure prediction

    Författare :Christoffer Norn; Biokemi och Strukturbiologi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Protein evolution; Biophysics; Protein design; Protein structure prediction;

    Sammanfattning : The sequence diversity of protein families is a result of the biophysical selection pressures that shaped their evolutionary history. Among the dominant pressures is selection for protein thermostability, which in itself is an attractive target in protein engineering because of its importance for various biopharmaceutical properties, the performance of industrial enzymes, and the ability to design new protein functions. LÄS MER

  7. 15. Transmission of structure-borne sound in ships : applications to a prediction model

    Författare :Ulf Orrenius; KTH; []
    Nyckelord :;

    Sammanfattning : This thesis examines transmission of structure-borne soundin rib-stiffened plate structures. In particular, theapplication of a prediction model for ships is analysed. Thismodel is based on a waveguide description of the structure. LÄS MER