Sökning: "functional structure"

Visar resultat 1 - 5 av 1360 avhandlingar innehållade orden functional structure.

  1. 1. Protein structure prediction : Zinc-binding sites, one-dimensional structure and remote homology

    Författare :Nanjiang Shu; Sven Hovmöller; Bruce Donald; Geoff Barton; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; protein structure prediction; zinc-binding; profile; homology detection; shape string; Bioinformatics; Bioinformatik; Molecular biology; Molekylärbiologi; Biochemistry; Biokemi; strukturkemi; Structural Chemistry;

    Sammanfattning : Predicting the three-dimensional (3D) structure of proteins is a central problem in biology. These computationally predicted 3D protein structures have been successfully applied in many fields of biomedicine, e.g. family assignments and drug discovery. LÄS MER

  2. 2. Functional association networks for disease gene prediction

    Författare :Dimitri Guala; Erik L L Sonnhammer; Hjalmar Brismar; Yves Moreau; Stockholms universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; network biology; biological networks; network prediction; functional association; functional coupling; network integration; functional association networks; genome-wide association networks; gene networks; protein networks; fret; functional enrichment analysis; network cross-talk; pathway annotation; gene prioritisation; network-based gene prioritization; benchmarking; biokemi med inriktning mot bioinformatik; Biochemistry towards Bioinformatics;

    Sammanfattning : Mapping of the human genome has been instrumental in understanding diseasescaused by changes in single genes. However, disease mechanisms involvingmultiple genes have proven to be much more elusive. Their complexityemerges from interactions of intracellular molecules and makes them immuneto the traditional reductionist approach. LÄS MER

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

    Författare :Jochen Rohrer; Chalmers University of Technology; []
    Nyckelord :NATURVETENSKAP; TEKNIK OCH TEKNOLOGIER; NATURAL SCIENCES; ENGINEERING AND TECHNOLOGY; 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. 4. Functional Polytypic Programming

    Författare :Patrik Jansson; Chalmers University of Technology; []
    Nyckelord :algebraic datatypes; functional programming; programming languages; polytypic programming; generic programming;

    Sammanfattning : Many algorithms have to be implemented over and over again for different datatypes, either because datatypes change during the development of programs, or because the same algorithm is used for several datatypes. Examples of such algorithms are equality tests, pretty printers, and pattern matchers, and polytypic programming is a paradigm for expressing such algorithms. LÄS MER

  5. 5. Computational Insights on Functional Materials for Clean Energy Storage : Modeling, Structure and Thermodynamics

    Författare :Tanveer Hussain; Rajeev Ahuja; Caetano R. Miranda; Uppsala universitet; []
    Nyckelord :NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Density functional theory; Molecular dynamics; Hydrogen storage; Chemisorption; Physisorption; Functionalization; Physics with spec. in Atomic; Molecular and Condensed Matter Physics; Fysik med inriktning mot atom- molekyl- och kondenserande materiens fysik;

    Sammanfattning : The exponential increase in the demands of world’s energy and the devastating effects of current fossil fuels based sources has forced us to reduce our dependence on the current sources as well as finding cleaner, cheaper and renewable alternates. Being abundant, efficient and renewable, hydrogen can be opted as the best possible replacement of the diminishing and harmful fossil fuels. LÄS MER