Sökning: "refinement"

Visar resultat 1 - 5 av 376 avhandlingar innehållade ordet refinement.

  1. 1. 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. 2. Fast decision of strong bisimulation equivalence using partition refinement

    Författare :Sven Westin; Chalmers tekniska högskola; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; CCS; coarsest partition; labelled transition system; refinement; partition; bisimulation equivalence;

    Sammanfattning : .... LÄS MER

  4. 3. Quantum Chemical Interpretation of Protein Crystal Structure

    Författare :Kristina Nilsson; Beräkningskemi; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; structure; Theoretical chemistry; quantum chemistry; Teoretisk kemi; kvantkemi; protein; ComQum-X; Hess2FF; QM MM; hetero-compound; metal; oxidation state; protonation; force field; quantum refinement; refinement;

    Sammanfattning : An initial model in the crystallographic structure determination process, usually contains many errors. To produce an accurate model, one must carry out several cycles of crystallographic refinement. LÄS MER

  5. 4. Abstract Algebra of Program Refinement

    Författare :Kim Solin; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; program refinement; the logic of action; abstract algebra; Datavetenskap; Computer Science;

    Sammanfattning : .... LÄS MER

  7. 5. Towards adaptive mesh refinement in Nek5000

    Författare :Nicolas Offermans; Philipp Schlatter; Adam Peplinski; Paul Fischer; Chris Cantwell; KTH; []
    Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Error estimators; mesh refinement; adaptivity; spectral element method; algebraic multigrid method; Engineering Mechanics; Teknisk mekanik;

    Sammanfattning : The development of adaptive mesh refinement capabilities in the field of computational fluid dynamics is an essential tool for enabling the simulation of larger and more complex physical problems. While such techniques have been known for a long time, most simulations do not make use of them because of the lack of a robust implementation. LÄS MER